4-클로로메틸-2-이소프로필록사졸

4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole

HCID 2763291CAS 39624-97-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)c1nc(CCl)co1
InChIKey: OPCOPSQQXAHCMD-UHFFFAOYSA-N
분자식: C7H10ClNO
평균 분자량: 159.61 g/mol
단동위원소 질량: 159.04509162

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
IUPAC: 4-(chloromethyl)-2-propan-2-yl-1,3-oxazole
현지명: 4-클로로메틸-2-이소프로필록사졸
영어명: 4-Chloromethyl-2-isopropyloxazole
분자식: C7H10ClNO
분자량: 159.61

이름 및 동의어

4-(CHLOROMETHYL)-2-(PROPAN-2-YL)-1,3-OXAZOLERefChem:515569864-087-44-(Chloromethyl)-2-isopropyloxazole39624-97-04-(chloromethyl)-2-isopropyl-1,3-oxazole4-Chloromethyl-2-isopropyloxazole4-(chloromethyl)-2-propan-2-yl-1,3-oxazoleMFCD077873904-chloromethyl-2-isopropyl oxazoleOxazole, 4-(chloromethyl)-2-(1-methylethyl)-SCHEMBL209893

이름 더 보기

4-클로로메틸-2-이소프로필록사졸4-(chloromethyl)-2-(1-methylethyl)Oxazole4-(Chloromethyl)-2-(prop-2-yl)-1,3-oxazole

Chloromethyl-2-isopropyloxazoleDTXSID80376876OPCOPSQQXAHCMD-UHFFFAOYSA-NPBA624974-(chloromethyl)-2-isopropyl-oxazoleAKOS005255410AB42970AT18627

데이터베이스 식별자

CAS: 39624-97-0
PubChem CID: 2763291
DTXSID: DTXSID80376876
EC Number: 864-087-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 204.4 · 204.4±15.0 °C(Predicted)
밀도: 1.114 · 1.114±0.06 g/cm3(Predicted)
산도 계수 (pKa): 1.13 · 1.13±0.36(Predicted)
물리적 상태: 액체
색상: Clear, colourless

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)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.