디플로로벤조일클로라이드

2,4-Difluorobenzoyl chloride

HCID 588081

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72482-64-5
표준 SMILES: O=C(Cl)c1ccc(F)cc1F
InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N
분자식: C7H3ClF2O
평균 분자량: 176.55 g/mol
단동위원소 질량: 175.9840487

이름 및 식별자

우선 이름: 2,4-Difluorobenzoyl chloride
IUPAC: 2,4-difluorobenzoyl chloride
현지명: 디플로로벤조일클로라이드
영어명: 2,4-Difluorobenzoyl chloride
분자식: C7H3ClF2O
분자량: 176.55

이름 및 동의어

2,4-Difluorobenzoyl chloride72482-64-5Benzoyl chloride, 2,4-difluoro-2,4-difluorobenzoic acid chloride77DL5FRC0ZEINECS 276-690-4JSWRVDNTKPAJLB-UHFFFAOYSA-DTXSID302227782,4-DIFLUOROBENZOYL CHLORIDE ACID CHLORIDERefChem:82425DTXCID60145269276-690-4

이름 더 보기

2,4-디플로로벤조일염화물디플로로벤조일클로라이드2,4-다이플루오로벤조일클로라이드2,4-디플루오로벤조일클로라이드SKL1283TIMTEC-BB SBB0066232,4-Difluorobenzoyl2,4-Difluorbenzoylchlorid2,4-DifluorobenzoylChloride>2,4-Difluorobenzoylchloride98%2,4-Difluorobenzoyl chloride 98%2,4-Difluorobenzoyl chloride,97%

InChI=1/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3HJSWRVDNTKPAJLB-UHFFFAOYSA-N2,4-difluorobenzoylchlorideMFCD000006582,4difluorobenzoylchlorideUNII-77DL5FRC0Z2,4-difluorobezoyl chloride2,4 difluorobenzoyl chloride

데이터베이스 식별자

CAS: 72482-64-5
PubChem CID: 588081
DTXSID: DTXSID30222778
UNII: 77DL5FRC0Z
EC Number: 276-690-4
Nikkaji: J208.432E

물성

구조 계산 물성

XLogP: 2.6
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: 70 · 70-71 °C
끓는 점: 96 · 96-98 °C (15 mmHg)
밀도: 1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5157(lit.)
인화점: 180 °F · 180 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.437 · 1.437
수용성: 물과 반응
BRN: 4800566 · 4800566
InChI: 1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N
SMILES: Fc1ccc(c(F)c1)C(Cl)=O

화학적 성질

clear light yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (39%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 77 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.