기본 정보
- CAS
63024-77-1- 표준 SMILES
O=C(Cl)c1cccc(CCl)c1- InChIKey
YCAIYRWHKSJKEB-UHFFFAOYSA-N- 분자식
- C8H6Cl2O
- 평균 분자량
- 189.04 g/mol
- 단동위원소 질량
- 187.97957017
이름 및 식별자
- 우선 이름
- 3-(Chloromethyl)benzoyl chloride
- IUPAC
- 3-(chloromethyl)benzoyl chloride
- 영어명
- 3-(Chloromethyl)benzoyl chloride
- 분자식
- C8H6Cl2O
- 분자량
- 189.04
이름 및 동의어
3-(Chloromethyl)benzoyl chloride63024-77-1Benzoyl chloride, 3-(chloromethyl)-SR5AXI8B1Xm-(chloromethyl)benzoyl chlorideEINECS 263-799-7UNII-SR5AXI8B1XDTXSID00212308RefChem:92591DTXCID60134799263-799-73-(Chloromethyl)-benzoyl chloride
이름 더 보기
SKL12893-(Chloromethyl)benzm-Toluoyl chloride, a-chloro-3-Chloro-4-MethylBenzoylChloride3-(CHLOROMETHYL)BENZOYL CHLORIDE 98%3-(Chloromethyl)benzoyl chloride,98%3-(Chloromethyl)benzoyl Chloride >
3-Chloromethyl-benzoyl chlorideMFCD000006823-(Chloromethyl)benzoylchloride3-(Chloromethyl) benzoyl chloride2-Methyl-3-Methylthio furan3-Chloromethylbenzoyl chloride3-chlormethylbenzoylchloride3-chloromethylbenzoylchloride
데이터베이스 식별자
- CAS
63024-77-1- PubChem CID
- 2733324
- DTXSID
DTXSID00212308- UNII
- SR5AXI8B1X
- EC Number
- 263-799-7
- Nikkaji
- J267.392D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 147
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
물리화학적 성질
- 녹는점
- 4 °C · 4 °C
- 끓는 점
- 149 · 149-150 °C/20 mmHg (lit.)
- 밀도
- 1.33 g/mL · 1.33 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5748(lit.)
- 인화점
- 230 °F · >230 °F
- 물리적 상태
- 액체
- Specific Gravity
- 1.33 · 1.330
- 색상
- 무색투명~연황색
- BRN
- 2436228 · 2436228
- InChI
- 1S/C8H6Cl2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2
- InChIKey
- YCAIYRWHKSJKEB-UHFFFAOYSA-N
- SMILES
- ClCc1cccc(c1)C(Cl)=O
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
GHS 분류
GHS Classification
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 46 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
- 26-36/37/39-45-25
- 포장분류
- II
- 위험 등급
- 8
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도3-(Chloromethyl)benzoyl chloride is used to prepare water-soluble, solution-stable, bioactive prodrugs.1
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