Carbonochloridic acid, 4-methoxyphenyl ester

HCID 82128CAS 7693-41-6

기본 정보

표준 SMILES: COc1ccc(OC(=O)Cl)cc1
InChIKey: CCFSGQKTSBIIHG-UHFFFAOYSA-N
분자식: C8H7ClO3
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.00837176

이름 및 식별자

우선 이름: Carbonochloridic acid, 4-methoxyphenyl ester
IUPAC: (4-methoxyphenyl) carbonochloridate
영어명: 4-Methoxyphenyl chloroformate
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

7693-41-64-methoxyphenyl carbonochloridateCarbonochloridic acid, 4-methoxyphenyl esterDTXSID8064771RefChem:574537DTXCID8047929628-379-34-Methoxyphenyl chloroformateChloroformic acid 4-methoxyphenyl ester(4-methoxyphenyl) carbonochloridateMFCD00013258carbonochloridic acid 4-methoxyphenyl ester

이름 더 보기

MURA-0074-methoxyphenylestep-Methoxyphenol chloroformatep-Methoxyphenoxycarbonyl chloride4-Methoxyphenyl chloroformate,98%4-METHOXYPHENYL CHLOROFORMATE 98%4-Methoxyphenylchloroformate 99% By Gc

4-methoxyphenylchloroformateCarbonochloridic acid,4-methoxyphenyl esterp-methoxyphenyl chloroformateSCHEMBL2190404-methoxy-phenyl chloroformate4-methoxyphenylcarbonochloridateorb31440414-(methoxy)phenyl chloroformate

데이터베이스 식별자

CAS: 7693-41-6
PubChem CID: 82128
DTXSID: DTXSID8064771
EC Number: 628-379-3
Nikkaji: J266.741J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 152

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점: 49 °C0.27 · 49 °C0.27 mm Hg(lit.)
밀도: 1.255 g/mL · 1.255 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5254(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: InChI=1S/C8H7ClO3/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3
InChIKey: CCFSGQKTSBIIHG-UHFFFAOYSA-N
SMILES: C(Cl)(OC1=CC=C(OC)C=C1)=O
EPA: 4 · Carbonochloridic acid, 4-methoxyphenyl ester (7693-41-6)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3277 6.1/PG 2
HS 번호: 29159000
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 6.1(a)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials