N,N-Diphenylcarbamic chloride

HCID 65741CAS 83-01-2
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기본 정보

표준 SMILES
O=C(Cl)N(c1ccccc1)c1ccccc1
InChIKey
XNBKKRFABABBPM-UHFFFAOYSA-N
분자식
C13H10ClNO
평균 분자량
231.68 g/mol
단동위원소 질량
231.04509162

개요

structure in first source

이름 및 식별자

우선 이름
N,N-Diphenylcarbamic chloride
IUPAC
N,N-diphenylcarbamoyl chloride
영어명
Diphenylcarbamyl chloride
분자식
C13H10ClNO
분자량
231.68

이름 및 동의어

Diphenylcarbamyl chlorideDiphenylcarbamoyl chloride83-01-2Diphenylcarbamic chlorideDiphenylchloroformamideN,N-Diphenylcarbamic chlorideNSC-6788LJ209318B2DTXSID2058885RefChem:926506DTXCID7048324201-450-2
이름 더 보기
βk-MMDMATIMTEC-BB SBB0007095-Methoxy-MethyloneDiphenylcarbamyl chlDIPHENYLUREA CHLORIDE
N,N-Diphenylcarbamoyl chlorideCarbamic chloride, diphenyl-N,N-Diphenylcarbamyl chlorideCarbamoyl chloride, diphenyl-MFCD00000633Carbamic chloride, N,N-diphenyl-chloro-N,N-diphenylamideNSC 6788

데이터베이스 식별자

CAS
83-01-2
PubChem CID
65741
DTXSID
DTXSID2058885
UNII
LJ209318B2
EC Number
201-450-2
Nikkaji
J29.581G

물성

구조 계산 물성

XLogP
3.8
극성 표면적
20.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
16

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionWhite solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
83 · 83-85 °C
끓는 점
207 °C · 207°C (rough estimate)
밀도
1.1781 · 1.1781 (rough estimate)
굴절률
1.633 · 1.6330 (estimate)
저장 조건
2 · 2-8°C
용해도
에 용해됨유기용매

화학적 성질

beige to grey-green crystalline powder

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, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 04-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20837

Diphenylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes kidney and bladder changes in oral lethal-dose studies of rats; [RTECS] Corrosive; May cause skin sensitization; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; [Sigma-Aldrich MSDS] See Dimethyl carbamoyl chloride. Search for (83-01-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

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

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EY5065000
ridadr
UN 3261 8/PG 2
HS 번호
29242995
risk_code
34-43-29

화학 및 산업

용도 및 제조

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]
General Manufacturing InformationCarbamic chloride, N,N-diphenyl-: ACTIVE
응용 분야 · 1건

용도N,N-Diphenylcarbamyl Chloride (Temozolomide USP Related Compound C) is used in the production of a high performance polyamide used as an electrical switch for memory devices. Also used in the synthesis of modified oligoribonucleotides base pairs.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]

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