CAS 95-81-8 2-Chloro-5-methylaniline (HCID 66770)

Names & identifiers

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

Names & synonyms

2-Chloro-5-methylaniline95-81-86-Chloro-m-toluidineBenzenamine, 2-chloro-5-methyl-CCRIS 288833NGJ21B5BEINECS 202-454-7UNII-33NGJ21B5BDTXSID0074554RefChem:86303DTXCID7048956202-454-7

Show more names

2-Thiophenol2-Chloro-5-methylani2-Chloro-5-methylaniline >2-Chloro-5-methylaniline 99+%2-CHLORO-5-METHYLANILINE 99%2-chloro-5-methyl-Benzenamine2-Chloro-5-Methylaniline, 97+%

HPSCXFOQUFPEPE-UHFFFAOYSA-NInChI=1/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3-AMINO-4-CHLOROTOLUENEMFCD000076742-chloro-5-methylbenzenamine2-chloro-5-methylphenylamine2-chloro-5-methyl aniline2-chloro-5-methyl-aniline

Database identifiers

CAS: 95-81-8
PubChem CID: 66770
DTXSID: DTXSID0074554
UNII: 33NGJ21B5B
EC Number: 202-454-7
Nikkaji: J153.388F

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 31 · 31-33°C
Boiling point: 228 · 228-230°C
Density: 1.1359 · 1.1359 (rough estimate)
refractive index: 1.5748 · 1.5748 (estimate)
Flash point: 228 · 228-230°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: powder to lump
pka: 2.78 · 2.78±0.10(Predicted)
color: White to Almost white
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)c(N)c1
CAS DataBase Reference: 95 · 95-81-8(CAS DataBase Reference)
FDA UNII: 33 NGJ21B5B · 33NGJ21B5B
NIST Chemistry Reference: 2 · 2-Chloro-5-methylaniline(95-81-8)
EPA Substance Registry System: 2 · Benzenamine, 2-chloro-5-methyl- (95-81-8)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-36/37-28-26
Safety Statements: 26 · 26-28-45-36/38-33-20/21/22
RIDADR: 2239 · UN2239
WGK Germany: 3 · 3
Hazard Note: Harmful
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 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN2239
hs_code: 29214300
risk_code: 20/21/22-36/37/38-36/37-28-26
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-28-45-36/38-33-20/21/22
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+H312+H332-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chloro-5-methylaniline is used in the synthesis and preparation of acylthiourea derivative for potential used of anti-viral agents against vaccinia and La Crosse viruses.