2,4,6-Trichlorobenzoyl chloride

HCID 2733703

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4136-95-2
표준 SMILES: O=C(Cl)c1c(Cl)cc(Cl)cc1Cl
InChIKey: OZGSEIVTQLXWRO-UHFFFAOYSA-N
분자식: C7H2Cl4O
평균 분자량: 243.9 g/mol
단동위원소 질량: 241.8859754

이름 및 식별자

우선 이름: 2,4,6-Trichlorobenzoyl chloride
IUPAC: 2,4,6-trichlorobenzoyl chloride
영어명: 2,4,6-Trichlorobenzoyl chloride
분자식: C7H2Cl4O
분자량: 243.9

이름 및 동의어

2,4,6-Trichlorobenzoyl chloride4136-95-2Benzoyl chloride, 2,4,6-trichloro-UNII-1083Y98L1D2,4,6-Trichlorobenzoyl chloride [MI]1083Y98L1DDTXSID80369980RefChem:82097DTXCID10321016609-916-02,4,6-TrichlorobenzoylchlorideMFCD00075323

이름 더 보기

SKL1271TrichlorobenzoylchloridePhloroglucinol Impurity 842,4,6-TRICHLORBENZOYLCHLORID2,4,6-TrichlorobenzoyChloride2,4,6-Ttrichlorobenzoyl chlorideBenzoyl chloride,2,4,6-trichloro-2,4,6-trichlorobenzeneformylchloro

SCHEMBL3335702,4,6-trichloro benzoyl chloride2,4,6-Trichlorobenzoyl chloride, 97%AC-10123T1413EN300-316966Q27251129Trichlorobenzoyl Impurity 1

데이터베이스 식별자

CAS: 4136-95-2
PubChem CID: 2733703
DTXSID: DTXSID80369980
UNII: 1083Y98L1D
EC Number: 609-916-0
Nikkaji: J152.953F

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 165 · 165-166 °C
끓는 점: 107 · 107-108 °C/6 mmHg (lit.)
밀도: 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5754(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.561 · 1.561
색상: 맑은 노란색
수용성: 물과 반응합니다.
BRN: 2050280 · 2050280
InChI: 1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKey: OZGSEIVTQLXWRO-UHFFFAOYSA-N
SMILES: ClC(=O)c1c(Cl)cc(Cl)cc1Cl

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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29163990
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45-25
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

개요2,4,6-Trichlorobenzoyl chloride is a chemical compound that forms during the synthesis of benzalkonium chloride. It can be used as an efficient method for the synthesis of fatty acids and cyclic peptides. The reaction products are chlorinated and have a hydroxyl group. It is used in the synthesis of fatty acids by reacting with acetic acid to produce a chlorinated fatty acid. Hydroxyl groups react with 2,4,6-trichlorobenzoyl chloride to form a chlorinated hydroxy fatty acid.

용도2,4,6-Trichlorobenzoyl chloride may be used in the preparation of:γ-lactone and δ-lactonealiphatic aromatic anhydrides, required for the synthesis of amphiphilic hyaluronanmixed anhydride, required for the synthesis of angelate esterssynthesis of both spongistatin 1 and spongistatin 2large-ring lactones in high yields.