4-Chlorophenyl chloroformate

HCID 139059CAS 7693-45-0

기본 정보

표준 SMILES: O=C(Cl)Oc1ccc(Cl)cc1
InChIKey: RYWGPCLTVXMMHO-UHFFFAOYSA-N
분자식: C7H4Cl2O2
평균 분자량: 191.01 g/mol
단동위원소 질량: 189.95883473

이름 및 식별자

우선 이름: 4-Chlorophenyl chloroformate
IUPAC: (4-chlorophenyl) carbonochloridate
영어명: 4-Chlorophenyl chloroformate
분자식: C7H4Cl2O2
분자량: 191.01

이름 및 동의어

4-Chlorophenyl chloroformate7693-45-0(4-chlorophenyl) carbonochloridateDTXSID60227716RefChem:522026DTXCID10150207626-526-64-Chlorophenyl carbonochloridatep-Chlorophenyl chloroformatecarbonochloridic acid, 4-chlorophenyl esterMFCD000006384-Chlorophenyl carbonochloridate; 4-Chlorophenyl chloroformate

이름 더 보기

4-Chlorophenyl Chloroformate >4-Chlorophenyl chloridocarbonate4-Chlorophenyl carbonochloridoateCarbonochloridic acid,4-chlorophenyl esterForMic acid, chloro-, p-chlorophenyl ester (6CI,8CI)

4-CHLOROPHENYLCHLOROFORMATEChloroformic Acid 4-Chlorophenyl EsterSCHEMBL594624-chloro-phenyl chloroformate4-(chloro)phenyl chloroformate4-Chlorophenyl chloridocarbonate4-Chlorophenyl chloridocarbonate #4-Chlorophenyl chloroformate, 98%

데이터베이스 식별자

CAS: 7693-45-0
PubChem CID: 139059
DTXSID: DTXSID60227716
EC Number: 626-526-6
Nikkaji: J654.198D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 30 °C · 30 °C
끓는 점: 100 · 100-102 °C/12 mmHg (lit.)
밀도: 1.365 g/mL · 1.365 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.533(lit.)
인화점: 218 °F · 218 °F
저장 조건: 2 · 2-8°C
용해도: 유기용매에 용해됩니다.
물리적 상태: 액체
Specific Gravity: 1.365 · 1.365
색상: 무색 내지 거의 무색
InChI: 1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
InChIKey: RYWGPCLTVXMMHO-UHFFFAOYSA-N
SMILES: ClC(=O)Oc1ccc(Cl)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 3277 6.1/PG 2
HS 번호: 29159000
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-28-36/37/39-45
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도It is widely used as an chemical intermediate and in research purpose. 4-Chlorophenyl chloroformate was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester.