CAS 4285-42-1 Carbamic chloride, N-methyl-N-phenyl- (HCID 77969)

Names & identifiers

Preferred name: Carbamic chloride, N-methyl-N-phenyl-
IUPAC: N-methyl-N-phenylcarbamoyl chloride
English name: N-METHYL-N-PHENYLCARBAMOYL CHLORIDE
Molecular formula: C8H8ClNO
Molecular weight: 169.61

Names & synonyms

Methylphenylcarbamoyl chlorideCarbaniloyl chloride, N-methyl-Carbamoyl chloride, methylphenyl-N-methyl-N-phenylcarbamic chlorideEINECS 224-288-4Carbamic chloride, N-methyl-N-phenyl-NSC 165671RefChem:574060224-288-4N-Methyl-N-phenylcarbamoyl chloride4285-42-1Carbamic chloride, methylphenyl-

Show more names

METHYLPHENYLCARBAMICHLORIDEN-METHYLCARBANILOYL CHLORIDEmethylphenyl-carbamicchloridMethylphenylcarbamyl chlorideCarbamicchloride,methylphenyl-

Methyl(phenyl)carbamic chlorideMFCD00000634methyl(phenyl)carbamoyl chlorideN-methyl-N-phenyl-carbamoyl chlorideNSC-165671SCHEMBL61173methyl-phenyl-carbamoyl chlorideDTXSID7063396

Database identifiers

CAS: 4285-42-1
PubChem CID: 77969
DTXSID: DTXSID7063396
EC Number: 224-288-4
Nikkaji: J87.268G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 87 · 87-90 °C (lit.)
Boiling point: 280 °C · 280 °C (lit.)
Density: 1.1885 · 1.1885 (rough estimate)
refractive index: 1.543 · 1.5430 (estimate)
storage temp.: 2 · 2-8°C
pka: 0.06 · 0.06±0.50(Predicted)
InChI: 1S/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey: CPGWSLFYXMRNDV-UHFFFAOYSA-N
SMILES: CN(C(Cl)=O)c1ccccc1
CAS DataBase Reference: 4285 · 4285-42-1
EPA Substance Registry System: Carbamic chloride, methylphenyl- (4285-42-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29242998 · 29242998
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29242998
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-28-36/37/39-45
Storage Class: 8A - Combustible corrosive hazardous materials
target organs: Respiratory system
Hazard statements: H314-H335
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbamic chloride, N-methyl-N-phenyl-: INACTIVE

Applications · 2 items

UsesN-Methyl-N-phenylcarbamoyl Chloride is a reagent for the preparation of carbamoylcholine analogs as it has biological activity as nicotinic acetylcholine receptor agonists.

General DescriptionSolvolyses of N-methyl-N-phenylcarbamoyl chlorides in aqueous binary mixtures of acetone, ethanol, methanol and in water, D2O and 50% D2O-CH3OD were investigated. Iridium-catalyzed annulation of N-methyl-N-phenylcarbamoyl chloride with internal alkyne was reported.