5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

HCID 59635701CAS 1114573-41-9

기본 정보

표준 SMILES: O=c1ccc(Br)cn1CC1CC1
InChIKey: LYJAMRBVRNCRMA-UHFFFAOYSA-N
분자식: C9H10BrNO
평균 분자량: 228.09 g/mol
단동위원소 질량: 226.99458

이름 및 식별자

우선 이름: 5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
IUPAC: 5-bromo-1-(cyclopropylmethyl)pyridin-2-one
영어명: 5-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one
분자식: C9H10BrNO
분자량: 228.09

이름 및 동의어

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one1114573-41-9RefChem:532745987-524-15-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-oneMFCD217466835-bromo-1-(cyclopropylmethyl)pyridin-2-oneSCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850

이름 더 보기

5-Bromo-1-(cyclopropylmethyl)-2(1H)-pyridinone2(1H)-Pyridinone, 5-bromo-1-(cyclopropylmethyl)-

KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-138713F476211

데이터베이스 식별자

CAS: 1114573-41-9
PubChem CID: 59635701
EC Number: 987-524-1

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 266

물리화학적 성질

끓는 점: 319.1 · 319.1±35.0 °C(Predicted)
밀도: 1.631 · 1.631±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -0.62 · -0.62±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.