2-[4-(Chloromethyl)-1,3-thiazol-2-yl]pyridine

HCID 2120100CAS 342025-41-6

기본 정보

표준 SMILES: ClCc1csc(-c2ccccn2)n1
InChIKey: VQPIMZRQQCTIHE-UHFFFAOYSA-N
분자식: C9H7ClN2S
평균 분자량: 210.68 g/mol

이름 및 식별자

우선 이름: 2-[4-(Chloromethyl)-1,3-thiazol-2-yl]pyridine
IUPAC: 4-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole
영어명: 4-(chloromethyl)-2-(pyridin-2-yl)thiazole
분자식: C9H7ClN2S
분자량: 210.68

이름 및 동의어

2-[4-(chloromethyl)-1,3-thiazol-2-yl]pyridine342025-41-62-(4-(chloromethyl)-1,3-thiazol-2-yl)pyridineRefChem:456435987-893-94-(chloromethyl)-2-pyridin-2-yl-1,3-thiazole4-(chloromethyl)-2-(pyridin-2-yl)thiazoleSCHEMBL1893656VQPIMZRQQCTIHE-UHFFFAOYSA-NSNA025414-Chloromethyl-2-(2-pyridyl)thiazoleAKOS000117433

이름 더 보기

Pyridine, 2-[4-(chloromethyl)-2-thiazolyl]-

4-(chloromethyl)-2-(2-pyridyl)thiazoleDB-1946784-chloromethyl-2-(2-pyridyl)-1,3-thiazoleCS-0221710EN300-09851G448054-(Chloromethyl)-2-(pyridin-2-yl)thiazole, 97%

데이터베이스 식별자

CAS: 342025-41-6
PubChem CID: 2120100
EC Number: 987-893-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

물리화학적 성질

끓는 점: 378.4 · 378.4±45.0 °C(Predicted)
밀도: 1.33 · 1.330±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0.84 · 0.84±0.19(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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.