3,4-Difluorobenzoyl chloride

HCID 2724519

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 76903-88-3
표준 SMILES: O=C(Cl)c1ccc(F)c(F)c1
InChIKey: RPQWXGVZELKOEU-UHFFFAOYSA-N
분자식: C7H3ClF2O
평균 분자량: 176.55 g/mol
단동위원소 질량: 175.98404884

이름 및 식별자

우선 이름: 3,4-Difluorobenzoyl chloride
IUPAC: 3,4-difluorobenzoyl chloride
영어명: 3,4-Difluorobenzoyl chloride
분자식: C7H3ClF2O
분자량: 176.55

이름 및 동의어

3,4-Difluorobenzoyl chloride76903-88-33,4-difluorobenzoylchlorideMFCD000099303,4-difluoro-benzoyl chlorideEINECS 278-570-73,4-DIFLUORO BENZOYL CHLORIDE3,4 difluorobenzoylchloride3,4-diflorobenzoyl chloride3,4-difluorobezoyl chloride3,4-diflourobenzoyl chlorideSCHEMBL192962

이름 더 보기

SKL12573,4-DifluorobenzoylTIMTEC-BB SBB0067223,4-DifluorobenzoylChloride>3,4-Difluorobenzoylchloride98%Benzoyl chloride, 3,4-difluoro-3,4-Difluorobenzoyl chloride 98%3,4-Difluorobenzoyl chloride, 98% 5MLBenzoyl chloride, 3,4-difluoro- (9CI)

SCHEMBL29470947DTXSID30227703CS-M09793,4-Difluorobenzoyl chloride, 98%SBB006722STL374079AKOS009157018PS-10782

데이터베이스 식별자

CAS: 76903-88-3
PubChem CID: 2724519
DTXSID: DTXSID30227703
EC Number: 278-570-7
Nikkaji: J309.332H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 53 · 53-54 °C
끓는 점: 61 · 61-63 °C (15 mmHg)
밀도: 1.403 g/mL · 1.403 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5114(lit.)
인화점: 173 °F · 173 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.403 · 1.403
BRN: 4177619 · 4177619
InChI: 1S/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H
InChIKey: RPQWXGVZELKOEU-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1F)C(Cl)=O

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.