4-(클로로메틸)티아졸염화물

4-(Chloromethyl)-1,3-thiazole hydrochloride

HCID 2763289CAS 7709-58-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.ClCc1cscn1
InChIKey: NVTBASMQHFMANH-UHFFFAOYSA-N
분자식: C4H5Cl2NS
평균 분자량: 170.06 g/mol
단동위원소 질량: 168.95197552

이름 및 식별자

우선 이름: 4-(Chloromethyl)-1,3-thiazole hydrochloride
IUPAC: 4-(chloromethyl)-1,3-thiazole;hydrochloride
현지명: 4-(클로로메틸)티아졸염화물
영어명: 4-(CHLOROMETHYL)THIAZOLE HYDROCHLORIDE
분자식: C4H4ClNS.ClH
분자량: 170.06

이름 및 동의어

4-(chloromethyl)-1,3-thiazole HydrochlorideRefChem:515505672-064-37709-58-24-(Chloromethyl)thiazole hydrochloride4-(chloromethyl)thiazole hcl4-chloromethylthiazole hydrochlorideMFCD020947384-(chloromethyl)-1,3-thiazole;hydrochloride4-(chloromethyl)thiazolehclSCHEMBL122926DTXSID60376874

이름 더 보기

4-(클로로메틸)티아졸염화물chloromethylthiazolehydrochloride4-CHLOROMETHYL-THIAZOLECHLOROMETHYLTHIAZOLE-4 HCL4-(CHLOROMETHYL)-1,3-THIAZOLE4-chloroMethythiazole hydrochloride4-ChloroMethylthiazoliuM hydrochloride4-(Chloromethyl)thiazole Hydrochloride >4-(CHLOROMETHYL)-1,3-THIAZOLE HYDROCHLORIDE

NVTBASMQHFMANH-UHFFFAOYSA-N4-(chloromethyl)thiazole HCl salt4-(chloromethyl)thiazolehydrochloride4-chloromethyl thiazole hydrochloride4-chloromethyl-thiazole hydrochlorideCL2524SBB0549354-(chloromethyl)thiazole;hydrochloride

데이터베이스 식별자

CAS: 7709-58-2
PubChem CID: 2763289
DTXSID: DTXSID60376874
EC Number: 672-064-3

물성

구조 계산 물성

극성 표면적: 41.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 59.7

물리화학적 성질

녹는점: 166 · 166-167 °C (sublm)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChIKey: NVTBASMQHFMANH-UHFFFAOYSA-N
SMILES: S1C=C(CCl)N=C1.[H]Cl

화학적 성질

White crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (40%)

안전 데이터

wgk: 3
HS 번호: 2934100090
risk_code: 36/37/38-41-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-(Chloromethyl)thiazole hydrochloride and its derivatives can be used to prepare 4-thiazole carboxylic acid. It has been shown that in the study of synthesis of conformationally restricted RGD-containing integrin ligands by efficient solid-phase intramolecular thioalkylation, the reaction of S-nucleophiles with the newly generated N-terminal 4-chloromethyl thiazoles afforded the desired cyclic RGD product 5 with high purity and good overall yield[1].