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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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2,326 – 2,340 of 64,662 results
2,326
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Thermo Scientific Chemicals Salbutamol hemisulfate, 98%

CAS: 51022-70-9 Molecular Formula: C13H21NO3·1/2H2SO4 Molecular Weight (g/mol): 288.35 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

PubChem CID 9884233
CAS 51022-70-9
Molecular Weight (g/mol) 288.35
SMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula C13H21NO3·1/2H2SO4
2,327
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4-Bromobenzyl alcohol, 99%

CAS: 873-75-6 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00004650 InChI Key: VEDDBHYQWFOITD-UHFFFAOYSA-N Synonym: 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo PubChem CID: 70119 IUPAC Name: (4-bromophenyl)methanol SMILES: C1=CC(=CC=C1CO)Br

PubChem CID 70119
CAS 873-75-6
Molecular Weight (g/mol) 187.04
MDL Number MFCD00004650
SMILES C1=CC(=CC=C1CO)Br
Synonym 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo
IUPAC Name (4-bromophenyl)methanol
InChI Key VEDDBHYQWFOITD-UHFFFAOYSA-N
Molecular Formula C7H7BrO
2,328
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Terephthaldehyde monodiethylacetal, 97%, stabilized

CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1

PubChem CID 595993
CAS 81172-89-6
Molecular Weight (g/mol) 208.26
MDL Number MFCD00010217
SMILES CCOC(OCC)C1=CC=C(C=O)C=C1
Synonym 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde
IUPAC Name 4-(diethoxymethyl)benzaldehyde
InChI Key HTMXMFARWHNJDW-UHFFFAOYSA-N
Molecular Formula C12H16O3
2,329
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2,4-Bis(chloromethyl)mesitylene, 98%

CAS: 1585-17-7 Molecular Formula: C11H14Cl2 Molecular Weight (g/mol): 217.13 MDL Number: MFCD00013681 InChI Key: JMNDJDCLOQRCJV-UHFFFAOYSA-N Synonym: 2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene PubChem CID: 137095 IUPAC Name: 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1CCl

PubChem CID 137095
CAS 1585-17-7
Molecular Weight (g/mol) 217.13
MDL Number MFCD00013681
SMILES CC1=CC(C)=C(CCl)C(C)=C1CCl
Synonym 2,4-bis chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethyl mesitylene,benzene, 2,4-bis chloromethyl-1,3,5-trimethyl,2,4-di chloromethyl-1,3,5-trimethylbenzene,2,4-bis chloromethylmesitylene,acmc-209dhz,bis-chloromethyl mesitylene,bis-chloromethyl-mesitylene,jmndjdcloqrcjv-uhfffaoysa,2,4-bis-chloromethyl mesitylene
IUPAC Name 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene
InChI Key JMNDJDCLOQRCJV-UHFFFAOYSA-N
Molecular Formula C11H14Cl2
2,330

Benzyl alcohol, specified according to requirements of Ph.Eur.

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2,331
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Benzyloxyacetic Acid, 95%

CAS: 30379-55-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00274211 InChI Key: GRZHHTYDZVRPIC-UHFFFAOYSA-N Synonym: benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy PubChem CID: 290301 IUPAC Name: 2-phenylmethoxyacetic acid SMILES: OC(=O)COCC1=CC=CC=C1

PubChem CID 290301
CAS 30379-55-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00274211
SMILES OC(=O)COCC1=CC=CC=C1
Synonym benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy
IUPAC Name 2-phenylmethoxyacetic acid
InChI Key GRZHHTYDZVRPIC-UHFFFAOYSA-N
Molecular Formula C9H10O3
2,332
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2,5-Dimethylbenzyl chloride, 98%

CAS: 824-45-3 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.637 MDL Number: MFCD00000902 InChI Key: PECXPZGFZFGDRD-UHFFFAOYSA-N Synonym: 2,5-dimethylbenzyl chloride,2-chloromethyl-1,4-dimethylbenzene,1-chloromethyl-2,5-dimethylbenzene,2-chloromethyl-p-xylene,benzene, 2-chloromethyl-1,4-dimethyl,2-chloromethyl-1,4-dimethyl-benzene,benzenemethanol,2-bromo-5-fluoro,2,5-dimethylbenzylchloride,acmc-209poz,2.5-dimethylbenzylchloride PubChem CID: 69987 IUPAC Name: 2-(chloromethyl)-1,4-dimethylbenzene SMILES: CC1=CC(=C(C=C1)C)CCl

PubChem CID 69987
CAS 824-45-3
Molecular Weight (g/mol) 154.637
MDL Number MFCD00000902
SMILES CC1=CC(=C(C=C1)C)CCl
Synonym 2,5-dimethylbenzyl chloride,2-chloromethyl-1,4-dimethylbenzene,1-chloromethyl-2,5-dimethylbenzene,2-chloromethyl-p-xylene,benzene, 2-chloromethyl-1,4-dimethyl,2-chloromethyl-1,4-dimethyl-benzene,benzenemethanol,2-bromo-5-fluoro,2,5-dimethylbenzylchloride,acmc-209poz,2.5-dimethylbenzylchloride
IUPAC Name 2-(chloromethyl)-1,4-dimethylbenzene
InChI Key PECXPZGFZFGDRD-UHFFFAOYSA-N
Molecular Formula C9H11Cl
2,333
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3-Bromo-4-methoxyphenylacetonitrile, 99%

CAS: 772-59-8 Molecular Formula: C9H8BrNO Molecular Weight (g/mol): 226.07 MDL Number: MFCD00016391 InChI Key: OBJKHHRZMIIEOK-UHFFFAOYSA-N PubChem CID: 522655 IUPAC Name: 2-(3-bromo-4-methoxyphenyl)acetonitrile SMILES: COC1=C(Br)C=C(CC#N)C=C1

PubChem CID 522655
CAS 772-59-8
Molecular Weight (g/mol) 226.07
MDL Number MFCD00016391
SMILES COC1=C(Br)C=C(CC#N)C=C1
IUPAC Name 2-(3-bromo-4-methoxyphenyl)acetonitrile
InChI Key OBJKHHRZMIIEOK-UHFFFAOYSA-N
Molecular Formula C9H8BrNO
2,334
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3,5-Dimethoxybenzyl alcohol, 99%

CAS: 705-76-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004641 InChI Key: AUDBREYGQOXIFT-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol PubChem CID: 69718 IUPAC Name: (3,5-dimethoxyphenyl)methanol SMILES: COC1=CC(OC)=CC(CO)=C1

PubChem CID 69718
CAS 705-76-0
Molecular Weight (g/mol) 168.19
MDL Number MFCD00004641
SMILES COC1=CC(OC)=CC(CO)=C1
Synonym 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol
IUPAC Name (3,5-dimethoxyphenyl)methanol
InChI Key AUDBREYGQOXIFT-UHFFFAOYSA-N
Molecular Formula C9H12O3
2,335
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Benzyl propargyl ether, 97%

CAS: 4039-82-1 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00483987 InChI Key: PAQVEXAFKDWGOT-UHFFFAOYSA-N Synonym: benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne PubChem CID: 6917484 IUPAC Name: prop-2-ynoxymethylbenzene SMILES: C#CCOCC1=CC=CC=C1

PubChem CID 6917484
CAS 4039-82-1
Molecular Weight (g/mol) 146.19
MDL Number MFCD00483987
SMILES C#CCOCC1=CC=CC=C1
Synonym benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne
IUPAC Name prop-2-ynoxymethylbenzene
InChI Key PAQVEXAFKDWGOT-UHFFFAOYSA-N
Molecular Formula C10H10O
2,336
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Terephthalaldehyde mono(diethyl acetal), 97%, stab.

CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1

PubChem CID 595993
CAS 81172-89-6
Molecular Weight (g/mol) 208.26
MDL Number MFCD00010217
SMILES CCOC(OCC)C1=CC=C(C=O)C=C1
Synonym 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde
IUPAC Name 4-(diethoxymethyl)benzaldehyde
InChI Key HTMXMFARWHNJDW-UHFFFAOYSA-N
Molecular Formula C12H16O3
2,337
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4-Chlorobenzyl alcohol, 99%

CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl

PubChem CID 13397
CAS 873-76-7
Molecular Weight (g/mol) 142.582
MDL Number MFCD00004652
SMILES C1=CC(=CC=C1CO)Cl
Synonym 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120
IUPAC Name (4-chlorophenyl)methanol
InChI Key PTHGDVCPCZKZKR-UHFFFAOYSA-N
Molecular Formula C7H7ClO
2,338
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4-Methylbenzyl cyanide, 98%

CAS: 2947-61-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00001922 InChI Key: RNHKXHKUKJXLAU-UHFFFAOYSA-N Synonym: 4-methylbenzyl cyanide,4-methylphenylacetonitrile,p-tolylacetonitrile,p-methylbenzyl cyanide,2-4-methylphenyl acetonitrile,benzeneacetonitrile, 4-methyl,4-methylphenyl acetonitrile,4-methylbenzeneacetonitrile,4-methylbenzylcyanide,2-p-tolylacetonitrile PubChem CID: 76280 IUPAC Name: 2-(4-methylphenyl)acetonitrile SMILES: CC1=CC=C(CC#N)C=C1

PubChem CID 76280
CAS 2947-61-7
Molecular Weight (g/mol) 131.18
MDL Number MFCD00001922
SMILES CC1=CC=C(CC#N)C=C1
Synonym 4-methylbenzyl cyanide,4-methylphenylacetonitrile,p-tolylacetonitrile,p-methylbenzyl cyanide,2-4-methylphenyl acetonitrile,benzeneacetonitrile, 4-methyl,4-methylphenyl acetonitrile,4-methylbenzeneacetonitrile,4-methylbenzylcyanide,2-p-tolylacetonitrile
IUPAC Name 2-(4-methylphenyl)acetonitrile
InChI Key RNHKXHKUKJXLAU-UHFFFAOYSA-N
Molecular Formula C9H9N
2,339
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Pentafluorophenylhydrazine, 97%, Thermo Scientific Chemicals

CAS: 828-73-9 Molecular Formula: C6H3F5N2 Molecular Weight (g/mol): 198.096 MDL Number: MFCD00007574 InChI Key: BYCUWCJUPSUFBX-UHFFFAOYSA-N Synonym: pentafluorophenylhydrazine,pentafluorophenyl hydrazine,perfluorophenyl hydrazine,hydrazine, pentafluorophenyl,2,3,4,5,6-pentafluorophenyl hydrazine,1-2,3,4,5,6-pentafluorophenyl hydrazine,pubchem3316,pentafluorophenyl-hydrazine PubChem CID: 13236 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)hydrazine SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)NN

PubChem CID 13236
CAS 828-73-9
Molecular Weight (g/mol) 198.096
MDL Number MFCD00007574
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)NN
Synonym pentafluorophenylhydrazine,pentafluorophenyl hydrazine,perfluorophenyl hydrazine,hydrazine, pentafluorophenyl,2,3,4,5,6-pentafluorophenyl hydrazine,1-2,3,4,5,6-pentafluorophenyl hydrazine,pubchem3316,pentafluorophenyl-hydrazine
IUPAC Name (2,3,4,5,6-pentafluorophenyl)hydrazine
InChI Key BYCUWCJUPSUFBX-UHFFFAOYSA-N
Molecular Formula C6H3F5N2
2,340
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3-Chlorophenylhydrazine hydrochloride, 97%

CAS: 2312-23-4 Molecular Formula: C6H7ClN2·HCl Molecular Weight (g/mol): 179.05 MDL Number: MFCD00012935 InChI Key: CRRIAWUJYMLJOE-UHFFFAOYSA-N Synonym: 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride PubChem CID: 75331 IUPAC Name: (3-chlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)Cl)NN.Cl

PubChem CID 75331
CAS 2312-23-4
Molecular Weight (g/mol) 179.05
MDL Number MFCD00012935
SMILES C1=CC(=CC(=C1)Cl)NN.Cl
Synonym 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride
IUPAC Name (3-chlorophenyl)hydrazine;hydrochloride
InChI Key CRRIAWUJYMLJOE-UHFFFAOYSA-N
Molecular Formula C6H7ClN2·HCl