Carbamic chloride, N-methyl-N-phenyl-

HCID 77969CAS 4285-42-1

기본 정보

표준 SMILES: CN(C(=O)Cl)c1ccccc1
InChIKey: CPGWSLFYXMRNDV-UHFFFAOYSA-N
분자식: C8H8ClNO
평균 분자량: 169.61 g/mol
단동위원소 질량: 169.02944156

이름 및 식별자

우선 이름: Carbamic chloride, N-methyl-N-phenyl-
IUPAC: N-methyl-N-phenylcarbamoyl chloride
영어명: N-METHYL-N-PHENYLCARBAMOYL CHLORIDE
분자식: C8H8ClNO
분자량: 169.61

이름 및 동의어

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-

이름 더 보기

METHYLPHENYLCARBAMICHLORIDEN-METHYLCARBANILOYL CHLORIDEmethylphenyl-carbamicchloridMethylphenylcarbamyl chlorideCarbamicchloride,methylphenyl-

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 143

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 87 · 87-90 °C (lit.)
끓는 점: 280 °C · 280 °C (lit.)
밀도: 1.1885 · 1.1885 (rough estimate)
굴절률: 1.543 · 1.5430 (estimate)
저장 조건: 2 · 2-8°C
산도 계수 (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
EPA: Carbamic chloride, methylphenyl- (4285-42-1)

화학적 성질

light yellow to light green crystalline mass or

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29242998
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-28-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

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

응용 분야 · 1건

일반 설명Solvolyses 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.