2-브로모-3-(디메틸아미노)아크롤레인

2-Bromo-3-(dimethylamino)prop-2-enal

HCID 57370032

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26387-66-6
표준 SMILES: CN(C)C=C(Br)C=O
InChIKey: ACBSCWFIKSDJLP-UHFFFAOYSA-N
분자식: C5H8BrNO
평균 분자량: 178.03 g/mol
단동위원소 질량: 176.97893

이름 및 식별자

우선 이름: 2-Bromo-3-(dimethylamino)prop-2-enal
IUPAC: 2-bromo-3-(dimethylamino)prop-2-enal
현지명: 2-브로모-3-(디메틸아미노)아크롤레인
영어명: 2-Bromo-3-(dimethylamino)acrolein
분자식: C5H8BrNO
분자량: 178.03

이름 및 동의어

26387-66-62-bromo-3-(dimethylamino)prop-2-enalDTXSID60724593RefChem:257025DTXCID006753382-Propenal, 2-bromo-3-(dimethylamino)-MFCD12923222SCHEMBL16701702-bromo-3-dimethylamino-acrolein3-dimethylamino-2-bromo-propenalACBSCWFIKSDJLP-UHFFFAOYSA-NAKOS026726717

이름 더 보기

2-브로모-3-(디메틸아미노)아크롤레인2-Bromo-3-(dimethylamino)acrolein2-Bromo-3-(dimethylamino)acrylaldehyde2-Bromo-3-(diMethylamino)acrylonitrile2-Bromo-3-(dimethylamino)acrolein, CAS 26387-66-6

DB-251359

데이터베이스 식별자

CAS: 26387-66-6
PubChem CID: 57370032
DTXSID: DTXSID60724593
EC Number: 631-086-3

물성

구조 계산 물성

XLogP: 1
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: 67 · 67-72 °C
끓는 점: 319.2 · 319.2±32.0 °C(Predicted)
밀도: 1.456 · 1.456±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 2.71 · 2.71±0.70(Predicted)
물리적 상태: powder
InChI: 1S/C5H8BrNO/c1-7(2)3-5(6)4-8/h3-4H,1-2H3/b5-3-
InChIKey: ACBSCWFIKSDJLP-HYXAFXHYSA-N
SMILES: CN(C)\C=C(/Br)C=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Corr. 1B (100%)；Resp. Sens. 1 (100%)

안전 데이터

wgk: 3
ridadr: UN 2923 8/PG 3
risk_code: 25-34-43
hazard_code: T
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 3 OralResp. Sens. 1Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

공급사16 곳

陕西科贝莱药物研发有限公司13119135307 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Aladdin Scientific[email protected]

화합물 노트

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