기본 정보
- CAS
7205-90-5- 표준 SMILES
ClCSc1ccc(Cl)cc1- InChIKey
XPJUCMIJGVAEGF-UHFFFAOYSA-N- 분자식
- C7H6Cl2S
- 평균 분자량
- 193.09 g/mol
- 단동위원소 질량
- 191.9567268
이름 및 식별자
- 우선 이름
- Benzene, 1-chloro-4-((chloromethyl)thio)-
- IUPAC
- 1-chloro-4-(chloromethylsulfanyl)benzene
- 영어명
- CHLOROMETHYL 4-CHLOROPHENYL SULFIDE
- 분자식
- C7H6Cl2S
- 분자량
- 193.09
이름 및 동의어
7205-90-5Chloromethyl 4-chlorophenyl sulphidep-Chloro-S-chloromethylbenzenethiolThiophenol, p-chloro-S-chloromethylp-Chlorfenyl-chlormethylsulfid1-Chloro-4-(chloromethylthio)benzenep-ChlorfenylmerkaptomethylchloridEINECS 230-578-1p-Chlorfenyl-chlormethylsulfid [Czech]BRN 2043507p-Chlorfenylmerkaptomethylchlorid [Czech]Benzene, 1-chloro-4-((chloromethyl)thio)-
이름 더 보기
HLOROMETHYL 4-CHLOROPHENYL SULFIDEChloromethyl p-chlorophenyl sulfide(p-Chlorophenylthio)methyl chloride(4-Chlorophenyl)thiomethyl chlorideCHLOROMETHYL 4-CHLOROPHENYL SULFIDEChloromethyl-4-chloropheryl sulfide
Benzene, 1-chloro-4-[(chloromethyl)thio]-Thiophenol, p-chloro-S-chloromethyl-4-06-00-01593 (Beilstein Handbook Reference)1-Chloro-4-[(chloromethyl)thio]benzene1-Chloro-4-((chloromethyl)thio)benzeneRefChem:562446230-578-1InChI=1/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H
데이터베이스 식별자
- CAS
7205-90-5- PubChem CID
- 23610
- DTXSID
DTXSID0064593- EC Number
- 230-578-1
- Nikkaji
- J54.870G
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 25.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 89
물리화학적 성질
- 녹는점
- 21.5 °C · 21.5°C
- 끓는 점
- 128 · 128-129 °C/12 mmHg (lit.)
- 밀도
- 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.6065(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- liquid
- InChI
- 1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
- InChIKey
- XPJUCMIJGVAEGF-UHFFFAOYSA-N
- SMILES
- ClCSc1ccc(Cl)cc1
- EPA
- 4 · Chloromethyl 4-chlorophenyl sulfide (7205-90-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (97.5%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ0200000
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1-chloro-4-[(chloromethyl)thio]-: ACTIVE
응용 분야
용도Chloromethyl 4-chlorophenyl sulfide was used to study the solvolysis of chloromethyl phenyl sulfide [(phenylthio)methyl chloride] and its p-chloro-derivative in a wide range of hydroxylic solvents. It was used as starting reagent in the synthesis of (4-chlorophenylthio) methyl acetate. It was used as alkylating reagent in microwave-assisted synthesis of 2-amino-imidazo[1,2-a]pyridine derivatives.
상·하류 제품 정보
상류 원료
공급사28 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
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