3-(클로로메틸)-5-메틸이속사졸

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

HCID 2735763

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35166-37-1
표준 SMILES: Cc1cc(CCl)no1
InChIKey: FEXTXBAFBURKGS-UHFFFAOYSA-N
분자식: C5H6ClNO
평균 분자량: 131.56 g/mol
단동위원소 질량: 131.01379149

이름 및 식별자

우선 이름: 3-(Chloromethyl)-5-methyl-1,2-oxazole
IUPAC: 3-(chloromethyl)-5-methyl-1,2-oxazole
현지명: 3-(클로로메틸)-5-메틸이속사졸
영어명: 3-(Chloromethyl)-5-methylisoxazole
분자식: C5H6ClNO
분자량: 131.56

이름 및 동의어

3-(chloromethyl)-5-methyl-1,2-oxazoleRefChem:494655673-080-33-(chloromethyl)-5-methylisoxazole35166-37-13-Chloromethyl-5-methylisoxazoleMFCD00221166Isoxazole, 3-(chloromethyl)-5-methyl-3-chloromethyl-5-methyl-isoxazoleSCHEMBL2234913-chloromethyl-5-methyisoxazole3-choromethyl-5-methylisoxazole

이름 더 보기

3-(클로로메틸)-5-메틸이속사졸BUTTPARK 27\08-503-(Chloromethyl)-5-methylisoxazole, 95+%

5-methyl-3-chloromethylisoxazoleDTXSID703709293-chloromethyl-5-methyl isoxazole5-methyl-3-chloromethyl-isoxazoleFEXTXBAFBURKGS-UHFFFAOYSA-NKBA16637STR073423-(chloromethyl)-5-methyl isoxazole

데이터베이스 식별자

CAS: 35166-37-1
PubChem CID: 2735763
DTXSID: DTXSID70370929
EC Number: 673-080-3
Nikkaji: J2.102.171G

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 26 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

끓는 점: 93 °C · 93 °C
밀도: 1.202 · 1.202±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): -3.39 · -3.39±0.12(Predicted)
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.