기본 정보
- 표준 SMILES
ClCc1cnc(Cl)s1- InChIKey
VRMUIVKEHJSADG-UHFFFAOYSA-N- 분자식
- C4H3Cl2NS
- 평균 분자량
- 168.04 g/mol
- 단동위원소 질량
- 166.93632546
이름 및 식별자
- 우선 이름
- 2-Chloro-5-chloromethylthiazole
- IUPAC
- 2-chloro-5-(chloromethyl)-1,3-thiazole
- 영어명
- 2-Chloro-5-chloromethylthiazole
- 분자식
- C4H3Cl2NS
- 분자량
- 168.04
이름 및 동의어
2-Chloro-5-chloromethylthiazole105827-91-62-chloro-5-(chloromethyl)thiazole2-chloro-5-chloromethyl-1,3-thiazole857BYZ5HZDTHIAZOLE, 2-CHLORO-5-(CHLOROMETHYL)-DTXSID40376791EC 429-830-55-chloromethyl-2-chloro-1,3-thiazoleRefChem:469282DTXCID90327819429-830-5
이름 더 보기
ccmtoro-5-(chL2-Chloro-5-chl2-Chloro-5-chloromet2-Chloro-5-ChloromethylClomethiazolum Impurity 42-Chloro-5-chloromehtylthiazole2-Chloro-5-(chlormethyl)thiazole
600-684-62-chloro-5-(chloromethyl)-1,3-thiazole2-chloro-5-chloromethyl-thiazoleMFCD010735492-chloro-5-chloromethyl thiazole2-Chloro-5-thiazolylmethyl chlorideUNII-857BYZ5HZDSCHEMBL335264
데이터베이스 식별자
- CAS
105827-91-6- PubChem CID
- 2763179
- DTXSID
DTXSID40376791- UNII
- 857BYZ5HZD
- EC Number
- 429-830-5、600-684-6
- Nikkaji
- J1.381.716B
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 80.4
물리화학적 성질
- 녹는점
- 31 · 31
- 끓는 점
- 268.6 · 268.6±32.0 °C(Predicted)
- 밀도
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- 굴절률
- 20 · n20/D1.571
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 메탄올에 용해됨
- 산도 계수 (pKa)
- 0.19 · 0.19±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- BRN
- 5861439 · 5861439
- InChI
- InChI=1S/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2
- InChIKey
- VRMUIVKEHJSADG-UHFFFAOYSA-N
- SMILES
- S1C(CCl)=CN=C1Cl
화학적 성질
White crystal or powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationStatus: Active Update: 03-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1959
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (97.4%)
Skin corrosion - category 1B
Acute Tox. 3 *
CSL Reaction Information
CSL00166
2-Chloro-5-(chloromethyl)thiazole + Dimethyl carbonate
Reaction caused a pressure buildup leading to a failure of the vessel and release of contents
Not Available
User Reported
04/21/2022
안전 데이터
- wgk
- 3
- ridadr
- 2922
- HS 번호
- 29349990
- risk_code
- 36/37/38-51/53-43-34-24-22
- hazard_code
- Xi,N,T
- safety_code
- 26-37-61-45-36/37/39
- 포장분류
- Ⅱ
- 위험 등급
- 8
- 위험 참고 사항
- Irritant
화학 및 산업
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하류 제품
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