티아졸,5-(클로로메틸)-2-메틸-

5-(Chloromethyl)-2-methyl-1,3-thiazole

HCID 12808794

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63140-11-4
표준 SMILES: Cc1ncc(CCl)s1
InChIKey: NHRPDSWALNDCIN-UHFFFAOYSA-N
분자식: C5H6ClNS
평균 분자량: 147.63 g/mol

이름 및 식별자

우선 이름: 5-(Chloromethyl)-2-methyl-1,3-thiazole
IUPAC: 5-(chloromethyl)-2-methyl-1,3-thiazole
현지명: 티아졸,5-(클로로메틸)-2-메틸-
영어명: THIAZOLE, 5-(CHLOROMETHYL)-2-METHYL-
분자식: C5H6ClNS
분자량: 147.63

이름 및 동의어

63140-11-45-(chloromethyl)-2-methyl-1,3-thiazoleRefChem:530972853-083-85-(Chloromethyl)-2-methylthiazole5-(CHLOROMETHYL)-2-METHYL-THIAZOLEThiazole, 5-(chloromethyl)-2-methyl-MFCD111117161,3-DIETHYL 2-(3-NITROPYRIDIN-2-YL)PROPANEDIOATE5-chloromethyl-2-methylthiazoleSCHEMBL15237012-methyl-5-chloromethylthiazole

이름 더 보기

티아졸,5-(클로로메틸)-2-메틸-5-(Chloromethyl)-2-Methyl-Thiazole(WX630056)

NHRPDSWALNDCIN-UHFFFAOYSA-NNCA14011AKOS006229544BS-12902SY123548DB-306253CS-0037238Thiazole, 5-?(chloromethyl)?-?2-?methyl-

데이터베이스 식별자

CAS: 63140-11-4
PubChem CID: 12808794
EC Number: 853-083-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.8

물리화학적 성질

녹는점: 43 · 43-45 °C
끓는 점: 93.5 °C · 93.5 °C(Press: 13 Torr)
밀도: 1.271 · 1.271±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.79 · 2.79±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.