CAS 45515-22-8 5-(Chloromethyl)-4-methyl-1,3-oxazole (HCID 205485)

기본 정보

CAS: 45515-22-8
표준 SMILES: Cc1ncoc1CCl
InChIKey: DUTCFYSYEZIRIM-UHFFFAOYSA-N
분자식: C5H6ClNO
평균 분자량: 131.56 g/mol
단동위원소 질량: 131.01379149

이름 및 식별자

우선 이름: 5-(Chloromethyl)-4-methyl-1,3-oxazole
IUPAC: 5-(chloromethyl)-4-methyl-1,3-oxazole
현지명: 5-(클로로메틸)-4-메틸옥사졸
영어명: 5-(CHLOROMETHYL)-4-METHYLOXAZOLE
분자식: C5H6ClNO
분자량: 131.56

이름 및 동의어

5-(chloromethyl)-4-methyl-1,3-oxazoleRefChem:531027821-710-45-(CHLOROMETHYL)-4-METHYLOXAZOLE45515-22-8MFCD10699533SCHEMBL7905-chloromethyl-4-methyloxazoleDTXSID60276840DUTCFYSYEZIRIM-UHFFFAOYSA-N5-(chloromethyl)-4-methyl-oxazoleVBA51522

이름 더 보기

5-(클로로메틸)-4-메틸옥사졸4-methyl-5-oxazolylmethyl chlorideOxazole, 5-(chloromethyl)-4-methyl-

AKOS006304636MB08890SY233036DB-070660CS-0280091EN300-311997F687413

데이터베이스 식별자

CAS: 45515-22-8
PubChem CID: 205485
DTXSID: DTXSID60276840
EC Number: 821-710-4
Nikkaji: J2.306.267D

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: 76 °C · 76 °C(Press: 16 Torr)
밀도: 1.202 · 1.202±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0.65 · 0.65±0.14(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.