Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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2,131 – 2,145 of 57,277 results

2,131

5-Bromo-2-chlorobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 189628-37-3 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08445659 InChI Key: DPKKRQAEYWOISP-UHFFFAOYSA-N PubChem CID: 10608925 IUPAC Name: 5-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=C(Br)C=C1

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Specifications

PubChem CID	10608925
CAS	189628-37-3
Molecular Weight (g/mol)	219.46
MDL Number	MFCD08445659
SMILES	ClC1=C(C=O)C=C(Br)C=C1
IUPAC Name	5-bromo-2-chlorobenzaldehyde
InChI Key	DPKKRQAEYWOISP-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

2,132

2-Bromo-5-(trifluoromethyl)phenol, 98%

CAS: 402-05-1 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD09261190 InChI Key: INHVNZLKNPJCJD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride PubChem CID: 21914470 IUPAC Name: 2-bromo-5-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Br

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Specifications

PubChem CID	21914470
CAS	402-05-1
Molecular Weight (g/mol)	241.007
MDL Number	MFCD09261190
SMILES	C1=CC(=C(C=C1C(F)(F)F)O)Br
Synonym	2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride
IUPAC Name	2-bromo-5-(trifluoromethyl)phenol
InChI Key	INHVNZLKNPJCJD-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

2,133

4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

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Specifications

PubChem CID	24229686
CAS	906353-00-2
Molecular Weight (g/mol)	230.22
MDL Number	MFCD09817529
SMILES	CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym	4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key	PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula	C12H10N2O3

2,134

N-Methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzylamine, 95%, Thermo Scientific™

CAS: 944450-83-3 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD11109326 InChI Key: PBJZWGQLXKZEJT-UHFFFAOYSA-N Synonym: n-methyl-4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,methyl 4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methyl amine,2-4-methyl aminomethyl phenyl-5-methyl-1,3,4-oxadiazole,methyl 4-5-methyl 1,3,4-oxadiazol-2-yl phenyl methyl amine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine PubChem CID: 26343642 IUPAC Name: N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine SMILES: CC1=NN=C(O1)C2=CC=C(C=C2)CNC

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Specifications

PubChem CID	26343642
CAS	944450-83-3
Molecular Weight (g/mol)	203.245
MDL Number	MFCD11109326
SMILES	CC1=NN=C(O1)C2=CC=C(C=C2)CNC
Synonym	n-methyl-4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,methyl 4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methyl amine,2-4-methyl aminomethyl phenyl-5-methyl-1,3,4-oxadiazole,methyl 4-5-methyl 1,3,4-oxadiazol-2-yl phenyl methyl amine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine
IUPAC Name	N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
InChI Key	PBJZWGQLXKZEJT-UHFFFAOYSA-N
Molecular Formula	C11H13N3O

2,135

{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol, 97%, Thermo Scientific™

CAS: 892502-29-3 Molecular Formula: C12H11F3N2O Molecular Weight (g/mol): 256.228 MDL Number: MFCD09817511 InChI Key: HLMRFDCLSUXVQC-UHFFFAOYSA-N Synonym: 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanol,2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanol,2-1-methyl-3-trifluoromethyl pyrazol-5-yl phenyl methan-1-ol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzyl alcohol,benzenemethanol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl PubChem CID: 24229659 IUPAC Name: [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO

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Specifications

PubChem CID	24229659
CAS	892502-29-3
Molecular Weight (g/mol)	256.228
MDL Number	MFCD09817511
SMILES	CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO
Synonym	2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl phenyl methanol,2-2-methyl-5-trifluoromethyl pyrazol-3-yl phenyl methanol,2-1-methyl-3-trifluoromethyl pyrazol-5-yl phenyl methan-1-ol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzyl alcohol,benzenemethanol,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl
IUPAC Name	[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol
InChI Key	HLMRFDCLSUXVQC-UHFFFAOYSA-N
Molecular Formula	C12H11F3N2O

2,136

4-Fluorobenzamide, 98%

CAS: 824-75-9 Molecular Formula: C₇H₆FNO Molecular Weight (g/mol): 139.13 MDL Number: MFCD00007992 InChI Key: VNDHYTGVCGVETQ-UHFFFAOYSA-N Synonym: p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407 PubChem CID: 71572 IUPAC Name: 4-fluorobenzamide SMILES: C1=CC(=CC=C1C(=O)N)F

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Specifications

PubChem CID	71572
CAS	824-75-9
Molecular Weight (g/mol)	139.13
MDL Number	MFCD00007992
SMILES	C1=CC(=CC=C1C(=O)N)F
Synonym	p-fluorobenzamide,benzamide, 4-fluoro,benzamide, p-fluoro,p-fluorobenzoic acid amide,4-fluoro-benzamide,unii-yb79f3xb1g,yb79f3xb1g,4fluorobenzamide,4-fluorobenzoamide,pubchem3407
IUPAC Name	4-fluorobenzamide
InChI Key	VNDHYTGVCGVETQ-UHFFFAOYSA-N
Molecular Formula	C₇H₆FNO

2,137

3-(Morpholinomethyl)benzaldehyde, 95%, Thermo Scientific™

CAS: 446866-83-7 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.257 InChI Key: KMYNYFKOOXFQGB-UHFFFAOYSA-N Synonym: 3-morpholinomethyl benzaldehyde,3-morpholin-4-ylmethyl benzaldehyde,benzaldehyde,3-4-morpholinylmethyl,3-morpholin-4-ylmethyl-benzaldehyde,3-4-morpholinylmethyl benzaldehyde,3-morpholinomethylbenzaldehyde,3-morpholin-4-yl methyl benzaldehyde PubChem CID: 7164603 IUPAC Name: 3-(morpholin-4-ylmethyl)benzaldehyde SMILES: C1COCCN1CC2=CC=CC(=C2)C=O

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Specifications

PubChem CID	7164603
CAS	446866-83-7
Molecular Weight (g/mol)	205.257
SMILES	C1COCCN1CC2=CC=CC(=C2)C=O
Synonym	3-morpholinomethyl benzaldehyde,3-morpholin-4-ylmethyl benzaldehyde,benzaldehyde,3-4-morpholinylmethyl,3-morpholin-4-ylmethyl-benzaldehyde,3-4-morpholinylmethyl benzaldehyde,3-morpholinomethylbenzaldehyde,3-morpholin-4-yl methyl benzaldehyde
IUPAC Name	3-(morpholin-4-ylmethyl)benzaldehyde
InChI Key	KMYNYFKOOXFQGB-UHFFFAOYSA-N
Molecular Formula	C12H15NO2

2,138

3-(Aminomethyl)benzoic acid hydrochloride, 95%, Thermo Scientific Chemicals

CAS: 876-03-9 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.623 MDL Number: MFCD03791117 InChI Key: SJCCOASSOPUHEN-UHFFFAOYSA-N Synonym: 3-aminomethyl benzoic acid hydrochloride,3-aminomethylbenzoic acid hydrochloride,3-aminomethylbenzoic acid hcl,3-aminomethyl-benzoic acid hydrochloride,acmc-209tzp,3-aminomethyl benzoic acid hcl,3-carboxybenzylamine hydrochloride,3-aminomethyl-benzoic acid hcl salt,3-aminomethyl benzoic acid, chloride,3-aminomethyl benzoicacid hydrochloride PubChem CID: 16218772 IUPAC Name: 3-(aminomethyl)benzoic acid;hydrochloride SMILES: C1=CC(=CC(=C1)CN)C(=O)O.Cl

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Specifications

PubChem CID	16218772
CAS	876-03-9
Molecular Weight (g/mol)	187.623
MDL Number	MFCD03791117
SMILES	C1=CC(=CC(=C1)CN)C(=O)O.Cl
Synonym	3-aminomethyl benzoic acid hydrochloride,3-aminomethylbenzoic acid hydrochloride,3-aminomethylbenzoic acid hcl,3-aminomethyl-benzoic acid hydrochloride,acmc-209tzp,3-aminomethyl benzoic acid hcl,3-carboxybenzylamine hydrochloride,3-aminomethyl-benzoic acid hcl salt,3-aminomethyl benzoic acid, chloride,3-aminomethyl benzoicacid hydrochloride
IUPAC Name	3-(aminomethyl)benzoic acid;hydrochloride
InChI Key	SJCCOASSOPUHEN-UHFFFAOYSA-N
Molecular Formula	C8H10ClNO2

2,139

5-Bromo-2-chloroaniline, 98%

CAS: 60811-17-8 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD06796283 InChI Key: UGOLEPGQWYPIBR-UHFFFAOYSA-N Synonym: 2-chloro-5-bromoaniline,3-bromo-6-chloroaniline,5-bromo-2-chlorophenylamine,benzenamine, 5-bromo-2-chloro,5-bromo-2-chloro-aniline,5-bromo-2-chloro-phenylamine,5-bromo-2-chloro aniline,pubchem3132,5-bromo-2-chlorobenzenamine,ksc493o4j PubChem CID: 3830731 IUPAC Name: 5-bromo-2-chloroaniline SMILES: NC1=CC(Br)=CC=C1Cl

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Specifications

PubChem CID	3830731
CAS	60811-17-8
Molecular Weight (g/mol)	206.47
MDL Number	MFCD06796283
SMILES	NC1=CC(Br)=CC=C1Cl
Synonym	2-chloro-5-bromoaniline,3-bromo-6-chloroaniline,5-bromo-2-chlorophenylamine,benzenamine, 5-bromo-2-chloro,5-bromo-2-chloro-aniline,5-bromo-2-chloro-phenylamine,5-bromo-2-chloro aniline,pubchem3132,5-bromo-2-chlorobenzenamine,ksc493o4j
IUPAC Name	5-bromo-2-chloroaniline
InChI Key	UGOLEPGQWYPIBR-UHFFFAOYSA-N
Molecular Formula	C6H5BrClN

2,140

4-Amino-3-(trifluoromethyl)benzoic acid, 98%

CAS: 400-76-0 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD03407960 InChI Key: NPPPORJZPNJXNQ-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethyl benzoic acid,4-amino-3-trifluoromethylbenzioc acid,rarechem al bo 0877,4-amino-5-trifluoromethylbenzoic acid,4-amino-3-trifluoromethyl-benzoic acid,benzoic acid, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl benzoic acid 3-trifluoromethyl-4-aminobenzoic acid,4-amino-3-trifluoromethylbenzoicacid,pubchem2211 PubChem CID: 3254286 IUPAC Name: 4-amino-3-(trifluoromethyl)benzoic acid SMILES: NC1=C(C=C(C=C1)C(O)=O)C(F)(F)F

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Specifications

PubChem CID	3254286
CAS	400-76-0
Molecular Weight (g/mol)	205.14
MDL Number	MFCD03407960
SMILES	NC1=C(C=C(C=C1)C(O)=O)C(F)(F)F
Synonym	4-amino-3-trifluoromethyl benzoic acid,4-amino-3-trifluoromethylbenzioc acid,rarechem al bo 0877,4-amino-5-trifluoromethylbenzoic acid,4-amino-3-trifluoromethyl-benzoic acid,benzoic acid, 4-amino-3-trifluoromethyl,4-amino-3-trifluoromethyl benzoic acid 3-trifluoromethyl-4-aminobenzoic acid,4-amino-3-trifluoromethylbenzoicacid,pubchem2211
IUPAC Name	4-amino-3-(trifluoromethyl)benzoic acid
InChI Key	NPPPORJZPNJXNQ-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

2,141

1-Bromo-4-n-dodecylbenzene, 98%

CAS: 126930-72-1 Molecular Formula: C18H29Br Molecular Weight (g/mol): 325.334 MDL Number: MFCD00191386 InChI Key: RFFMRBISTZHCNY-UHFFFAOYSA-N Synonym: 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene PubChem CID: 15120506 IUPAC Name: 1-bromo-4-dodecylbenzene SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)Br

Pricing & Availability
Specifications

PubChem CID	15120506
CAS	126930-72-1
Molecular Weight (g/mol)	325.334
MDL Number	MFCD00191386
SMILES	CCCCCCCCCCCCC1=CC=C(C=C1)Br
Synonym	4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene
IUPAC Name	1-bromo-4-dodecylbenzene
InChI Key	RFFMRBISTZHCNY-UHFFFAOYSA-N
Molecular Formula	C18H29Br

2,142

3,5-Dinitrobenzyl alcohol, 98%

CAS: 71022-43-0 Molecular Formula: C7H6N2O5 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00007235 InChI Key: GPHYIQCSMDYRGJ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzyl alcohol,3,5-dinitrophenyl methanol,benzenemethanol, 3,5-dinitro,3,5-dinitrobenzenemethanol,unii-111z6y5ynw,3,5-dinitrobenzylalcohol,pubchem20861,acmc-1bdpg,ksc494c8n,3,5-dinitrophenyl methanol # PubChem CID: 116978 IUPAC Name: (3,5-dinitrophenyl)methanol SMILES: OCC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

Pricing & Availability
Specifications

PubChem CID	116978
CAS	71022-43-0
Molecular Weight (g/mol)	198.13
MDL Number	MFCD00007235
SMILES	OCC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	3,5-dinitrobenzyl alcohol,3,5-dinitrophenyl methanol,benzenemethanol, 3,5-dinitro,3,5-dinitrobenzenemethanol,unii-111z6y5ynw,3,5-dinitrobenzylalcohol,pubchem20861,acmc-1bdpg,ksc494c8n,3,5-dinitrophenyl methanol #
IUPAC Name	(3,5-dinitrophenyl)methanol
InChI Key	GPHYIQCSMDYRGJ-UHFFFAOYSA-N
Molecular Formula	C7H6N2O5

2,143

4-Amino-2-(trifluoromethyl)benzoic acid, 97+%

CAS: 393-06-6 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD03407959 InChI Key: AMVHEVZYTGHASE-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzoic acid,5-amino-2-carboxybenzotrifluoride,2-trifluoromethyl-4-aminobenzoic acid,pubchem1360,4-amimo-2-trifluoromethyl benzoicacid,acmc-209j4m,ksc495q5d,rarechem al bo 0438,buttpark 44\01-93,4-amino-2-trifluoromethyl benzoicacid PubChem CID: 3836325 IUPAC Name: 4-amino-2-(trifluoromethyl)benzoic acid SMILES: NC1=CC(=C(C=C1)C(O)=O)C(F)(F)F

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Specifications

PubChem CID	3836325
CAS	393-06-6
Molecular Weight (g/mol)	205.14
MDL Number	MFCD03407959
SMILES	NC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
Synonym	4-amino-2-trifluoromethyl benzoic acid,5-amino-2-carboxybenzotrifluoride,2-trifluoromethyl-4-aminobenzoic acid,pubchem1360,4-amimo-2-trifluoromethyl benzoicacid,acmc-209j4m,ksc495q5d,rarechem al bo 0438,buttpark 44\01-93,4-amino-2-trifluoromethyl benzoicacid
IUPAC Name	4-amino-2-(trifluoromethyl)benzoic acid
InChI Key	AMVHEVZYTGHASE-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

2,144

4-Acetamidobenzyl alcohol, 97%

CAS: 16375-88-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00016868 InChI Key: XEYORFKUJZEQCH-UHFFFAOYSA-N Synonym: 4-acetamidobenzyl alcohol,n-4-hydroxymethyl phenyl acetamide,4-acetaminobenzyl alcohol,4-acetamidobenzylalcohol,n-4-hydroxymethyl-phenyl-acetamide,p-acetaminobenzyl alcohol,acetamide, n-4-hydroxymethyl phenyl,4-acetylamino benzyl alcohol PubChem CID: 152141 IUPAC Name: N-[4-(hydroxymethyl)phenyl]acetamide SMILES: CC(=O)NC1=CC=C(CO)C=C1

Pricing & Availability
Specifications

PubChem CID	152141
CAS	16375-88-5
Molecular Weight (g/mol)	165.19
MDL Number	MFCD00016868
SMILES	CC(=O)NC1=CC=C(CO)C=C1
Synonym	4-acetamidobenzyl alcohol,n-4-hydroxymethyl phenyl acetamide,4-acetaminobenzyl alcohol,4-acetamidobenzylalcohol,n-4-hydroxymethyl-phenyl-acetamide,p-acetaminobenzyl alcohol,acetamide, n-4-hydroxymethyl phenyl,4-acetylamino benzyl alcohol
IUPAC Name	N-[4-(hydroxymethyl)phenyl]acetamide
InChI Key	XEYORFKUJZEQCH-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

2,145

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

Pricing & Availability
Specifications

PubChem CID	121531
CAS	1716-60-5
Molecular Weight (g/mol)	153.20
MDL Number	MFCD01708100
SMILES	CC(N)CC1=CC=CC=C1F
Synonym	2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
IUPAC Name	1-(2-fluorophenyl)propan-2-amine
InChI Key	GDSXNLDTQFFIEU-UHFFFAOYNA-N
Molecular Formula	C9H12FN

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