4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazole

HCID 10588461

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기본 정보

CAS: 678164-78-8
표준 SMILES: Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CCl
InChIKey: DAIJRQFQVXPBCI-UHFFFAOYSA-N
분자식: C12H9ClF3NO
평균 분자량: 275.65 g/mol
단동위원소 질량: 275.0324761

이름 및 식별자

우선 이름: 4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazole
IUPAC: 4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
영어명: 4-(Chloromethyl)-5-methyl-2-(3-(trifluoromethyl)phenyl)oxazole
분자식: C12H9ClF3NO
분자량: 275.65

이름 및 동의어

678164-78-84-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole4-Chloromethyl-5-methyl-2-(3-trifluoromethyl-phenyl)-oxazoleOxazole, 4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-4-(CHLOROMETHYL)-5-METHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]oxazolestarbld0023262SCHEMBL2081784DTXSID20442206DCB16478MFCD09759022AKOS015996343

이름 더 보기

EN300-1726248

데이터베이스 식별자

CAS: 678164-78-8
PubChem CID: 10588461
DTXSID: DTXSID20442206
EC Number: 171-899-6

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 287

물리화학적 성질

끓는 점: 346.1 · 346.1±52.0 °C(Predicted)
밀도: 1.323 · 1.323±0.06 g/cm3(Predicted)
산도 계수 (pKa): -0.86 · -0.86±0.26(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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