5-Chloro-2-methylaniline (HCID 7260)

Names & identifiers

Preferred name: 5-Chloro-2-methylaniline
IUPAC: 5-chloro-2-methylaniline
English name: 5-Chloro-2-methylaniline
Molecular formula: C7H8ClN
Molecular weight: 141.6

Names & synonyms

5-Chloro-2-methylaniline95-79-45-CHLORO-O-TOLUIDINE2-Amino-4-chlorotoluene2-Methyl-5-chloroaniline3-Chloro-6-methylanilineFast Red KB baseBenzenamine, 5-chloro-2-methyl-Ansibase Red KB5-Chloro-2-methylbenzenamineSpectrolene Red KB4-Chloro-2-aminotoluene

Show more names

5-chloro-2-methyl-BenzenaminePCOTNCI-C02051c.i. 37090ccris151[qr]

o-Toluidine, 5-chloro-Red KB basePharmazoid Red KBLake Red BK baseFast Red KB amineFast Red KB SaltStable Red KB baseFast Red KBS Salt

Database identifiers

CAS: 95-79-4
PubChem CID: 7260
DTXSID: DTXSID5020287
ChEMBL: CHEMBL553181
ChEBI: CHEBI:82422
UNII: LW5K546DTR
EC Number: 202-452-6
Nikkaji: J54.427B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94

Physicochemical properties

Melting point: 22 °C · 22 °C
Boiling point: 237 °C · 237 °C(lit.)
Density: 1.177 g/mL · 1.177 g/mL at 20 °C(lit.)
vapor pressure: 0.45 hPa · 0.45 hPa (50 °C)
refractive index: 20 · n20/D 1.584(lit.)
Flash point: 320 °F · 320 °F
storage temp.: 30 °C · Store below +30°C.
solubility: soluble in Alcohol
pka: 1 · pK1:3.85(+1) (25°C)
form: Liquid After Melting
color: Clear yellow to light brown
Water Solubility: 1 g/L · < 1 g/L (22 ºC)
BRN: 878504 · 878504
Henry's Law Constant: 6.3 · 6.3×100 mol/(m3Pa) at 25℃, HSDB (2015)
InChI: 1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey: WRZOMWDJOLIVQP-UHFFFAOYSA-N
SMILES: Clc1cc(c(cc1)C)N
Toxicology and Carcinogenesis: 5 · Bioassay of 5-Chloro-o-toluidine for Possible Carcinogenicity (CASRN 95-79-4)
CAS DataBase Reference: 95 · 95-79-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 K546DTR · LW5K546DTR
NIST Chemistry Reference: 5 · Benzenamine, 5-chloro-2-methyl-(95-79-4)
IARC: 3 · 3 (Vol. 77, 99) 2010
EPA Substance Registry System: 5 · 5-Chloro-2-methylaniline (95-79-4)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H319-H370-H372-H410
Precautionary statements: 501 · P501-P273-P260-P270-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405
target organs: Respiratory system
Hazard Codes: Xn,T
Risk Statements: 22 · 22-36/37/38-40-45-23/24/25
Safety Statements: 26 · 26-45-36/37/39-53
RIDADR: 3429 · UN 3429 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 5075000 · XU5075000
Autoignition Temperature: 540 °C · >540 °C
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214300 · 29214300
Storage Class: 6.1 C · 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Hazardous Substances Data: 95 · 95-79-4(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in Rabbit: 464 mg/kg
REACH Registrations: Active

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: XU5075000
ridadr: UN 3429 6.1/PG 3
hs_code: 29214300
Toxicity: LD50 orally in Rabbit: 464 mg/kg
risk_code: 22-36/37/38-40-45-23/24/25
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09
hazard_code: Xn,T
safety_code: 26-45-36/37/39-53
hazard_class: 6.1
Storage Class: 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H319-H370-H372-H410
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Autoignition Temperature: >540 °C
Precautionary statements: P501-P273-P260-P270-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405
Hazardous Substances Data: 95-79-4(Hazardous Substances Data)

Chemistry & industry

Applications

Uses5-Chloro-2-toluidine, is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds including inhibitors. It is a carcinogenic monocyclic amine. The compound is used in synthesizing dyes.

Upstream & downstream products

Upstream raw materials

2-Nitrotoluene Iron

Downstream products

2,4-Dichlorotoluene 5-chloro-2-methylbenzenediazonium 2-Bromo-4-chlorotoluene 1-(5-Chloro-2-methylphenyl)piperazine 5-Chloro-2-methylanisole 3-Amino-4-methylbenzonitrile Solvent Red 210 Mordant Violet 10 N-(5-Chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide 5-Chloro-2,4,8-trimethylquinoline 5-Chloro-2-Methylphenylboronic acid, pinacol ester Guanidine, N-(5-chloro-2-methylphenyl)-

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Additional notes

DefinitionChEBI: 5-Chloro-ortho-toluidine is a member of monochlorobenzenes.

Related reactions

65 records

New reaction record

HRID 59452As reactantuspto-grants-2016_09

HRID 59453As reactantuspto-grants-2016_09

HRID 158833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165724As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178735As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186473As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 218395As productuspto-grants-2012_06

HRID 218396As reactantuspto-grants-2012_06

Linked notes

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Basic information