alpha-Bromocinnamaldehyde (HCID 21585)

이름 및 식별자

우선 이름: alpha-Bromocinnamaldehyde
IUPAC: 2-bromo-3-phenylprop-2-enal
현지명: 브로모신남알
영어명: α-Bromocinnamaldehyde
분자식: C9H7BrO
분자량: 211.06

이름 및 동의어

DTXSID301021256Bromocinnamalalpha-Bromocinnamic aldehydeRefChem:555414DTXCID601506310226-637-62-Bromocinnamaldehyde5443-49-2alpha-Bromocinnamaldehyde2-bromo-3-phenylprop-2-enalMFCD0000696599686-39-2

이름 더 보기

브로모신남알2-bromo-3-phenyl-2-propenal(Z)-2-Bromo-3-phenylacrylaldehydeb36b37B 37Alphabrocineα-BromocinnamaLAKOS BBS-00003210α-Bromociamaldehyde

a-Bromocinnamaldehydebromocinnamaldehyde2-bromo-3-phenyl-propenalSCHEMBL567063SCHEMBL58042092-bromo-3-phenyl-prop-2-enalSY048553DB-020609

데이터베이스 식별자

CAS: 5443-49-2
PubChem CID: 21585
DTXSID: DTXSID301021256
EC Number: 226-637-6

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

Physical DescriptionTan crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 66 · 66-68 °C(lit.)
끓는 점: 304.4 · 304.4±30.0 °C(Predicted)
밀도: 1.427 · 1.4270 (rough estimate)
굴절률: 1.572 · 1.5720 (estimate)
저장 조건: 2 · 2-8°C
물리적 상태: 결정성 분말
색상: 밝은 노란색에서 황토색까지
화장품 원료 기능: 향기
InChI: InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChIKey: WQRWNOKNRHCLHV-UHFFFAOYSA-N
SMILES: C(=O)C(Br)=CC1=CC=CC=C1
LogP: 2.491 · 2.491 (est)
NIST: 2 · 2-Propenal, 2-bromo-3-phenyl-(5443-49-2)

화학적 성질

light yellow to ochre crystalline powder

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 (97.8%): 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 46 reports by companies from 6 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

Hazards SummaryCauses somnolence in oral, intraperitoneal, and subcutaneous lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)