CAS 80061-95-6 3-(Chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole (HCID 11458249)

기본 정보

CAS: 80061-95-6
표준 SMILES: ClCC1=NOC(c2ccccc2)C1
InChIKey: NFPOZCYAWVJLAF-UHFFFAOYSA-N
분자식: C10H10ClNO
평균 분자량: 195.64 g/mol
단동위원소 질량: 195.0450916

이름 및 식별자

우선 이름: 3-(Chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole
IUPAC: 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole

이름 및 동의어

80061-95-63-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazoleRefChem:494663860-176-73-chloromethyl-5-phenylisoxazoline3-(chloromethyl)-5-phenyl-4,5-dihydroisoxazoleSCHEMBL5997185NFPOZCYAWVJLAF-UHFFFAOYSA-N3-chloromethyl-5-phenyl-4,5-dihydroisoxazoleEN300-8131718

데이터베이스 식별자

CAS: 80061-95-6
PubChem CID: 11458249
EC Number: 860-176-7
Nikkaji: J1.811.320A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 21.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 199

안전 및 규제

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.