2,4-Dichloro-N-methylaniline

HCID 2800935

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Basic information

CAS: 35113-88-3
Standard SMILES: CNc1ccc(Cl)cc1Cl
InChIKey: DDBLVMDBBKQXTA-UHFFFAOYSA-N
Molecular formula: C7H7Cl2N
Average molar mass: 176.04 g/mol
Monoisotopic mass: 174.99555458

Names & identifiers

Preferred name: 2,4-Dichloro-N-methylaniline
IUPAC: 2,4-dichloro-N-methylaniline
English name: N1-METHYL-2,4-DICHLOROANILINE
Molecular formula: C7H7Cl2N
Molecular weight: 176.04

Names & synonyms

2,4-Dichloro-N-methylaniline35113-88-3DTXSID80384198RefChem:246330DTXCID40335222625-519-5N-Methyl 2,4-dichloroanilineN1-METHYL-2,4-DICHLOROANILINEN-methyl-2,4-dichloroanilineMFCD00052853SCHEMBL9896082,4-Dichloro-N-methylaniline, 97%

Show more names

2,4-Dichloro-N-methylaniline 97%2,4-dichloro-N-methylbenzeneamineBenzenamine, 2,4-dichloro-N-methyl-

AKOS000250673E79797EN300-1263428FT-0629708DDBLVMDBBKQXTA-UHFFFAOY2,4-dichloro-N-methyl-anilineSCHEMBL1547648DDBLVMDBBKQXTA-UHFFFAOYSA-N

Database identifiers

CAS: 35113-88-3
PubChem CID: 2800935
DTXSID: DTXSID80384198
EC Number: 625-519-5
Nikkaji: J88.991A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 28 · 28-32 °C(lit.)
Boiling point: 68 °C · 68 °C
Density: 1.325 · 1.325±0.06 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.48 · 2.48±0.12(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: 1S/C7H7Cl2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey: DDBLVMDBBKQXTA-UHFFFAOYSA-N
SMILES: CNc1ccc(Cl)cc1Cl
CAS DataBase Reference: 35113 · 35113-88-3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317-H318
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 25 · 25-41-43-52/53
Safety Statements: 26 · 26-37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 2 · 2
HS Code: 2921420090 · 2921420090
Storage Class: 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 2811 6.1/PG 3
hs_code: 2921420090
risk_code: 25-41-43-52/53
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-37/39-45
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard statements: H301-H317-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338+P310