기본 정보
- CAS
435273-53-3- 표준 SMILES
Br.Cc1ccncc1C(=O)CBr- InChIKey
OVQVUSADZFZNNS-UHFFFAOYSA-N- 분자식
- C8H9Br2NO
- 평균 분자량
- 294.97 g/mol
- 단동위원소 질량
- 292.90509
이름 및 식별자
- 우선 이름
- 2-Bromo-1-(4-methylpyridin-3-yl)ethan-1-one hydrobromide
- IUPAC
- 2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrobromide
이름 및 동의어
435273-53-32-bromo-1-(4-methylpyridin-3-yl)ethan-1-one hydrobromideRefChem:465969854-745-92-Bromo-1-(4-methyl-pyridin-3-yl)-ethanone Hydrobromide2-bromo-1-(4-methylpyridin-3-yl)ethan-1-onehydrobromide2-bromo-1-(4-methylpyridin-3-yl)ethanone;hydrobromideSCHEMBL5567775OVQVUSADZFZNNS-UHFFFAOYSA-NKSA27353DA-26959EN300-21001739
이름 더 보기
2-bromo-1-(4-methylpyrid-3-yl)ethanone hydrobromide2-bromo-1-(4-methylpyridin-3-yl)ethanone hydrobromide
데이터베이스 식별자
- CAS
435273-53-3- PubChem CID
- 22730990
- EC Number
- 854-745-9
물성
구조 계산 물성
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 149
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%)
관련 반응
4건
화합물 노트
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