2-(4-브로모페닐)말론디알데하이드

2-(4-Bromophenyl)propanedial

HCID 3494646

기본 정보

CAS
709648-68-0
표준 SMILES
O=CC(C=O)c1ccc(Br)cc1
InChIKey
PRLAEKVWSOXWMG-UHFFFAOYSA-N
분자식
C9H7BrO2
평균 분자량
227.05 g/mol
단동위원소 질량
225.96294

이름 및 식별자

우선 이름
2-(4-Bromophenyl)propanedial
IUPAC
2-(4-bromophenyl)propanedial
현지명
2-(4-브로모페닐)말론디알데하이드
영어명
2-(4-BROMOPHENYL)MALONDIALDEHYDE
분자식
C9H7BrO2
분자량
227.05

이름 및 동의어

2-(4-bromophenyl)propanedialRefChem:457121674-323-6709648-68-02-(4-Bromophenyl)malonaldehyde2-(4-Bromophenyl)malondialdehydeMFCD022618952-(4-bromphenyl)malondialdehyde2-(4-bromophenyl)propane-1,3-dial(4-Bromophenyl)propanedial(4-broMophenyl)MalondialdehydeSCHEMBL1129069
이름 더 보기
2-(4-브로모페닐)말론디알데하이드2-(4-Bromophenyl)maloaldehyde
DTXSID50393015PRLAEKVWSOXWMG-UHFFFAOYSA-NPropanedial, 2-(4-bromophenyl)-JDB64868SBB097083AKOS0223469252-(4-Bromophenyl)malonaldehyde 95+%SY062708

데이터베이스 식별자

CAS
709648-68-0
PubChem CID
3494646
DTXSID
DTXSID50393015
EC Number
674-323-6

물성

구조 계산 물성

XLogP
1.7
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
12

물리화학적 성질

녹는점
157 · 157-160
끓는 점
302.3 · 302.3±32.0 °C(Predicted)
밀도
1.51 · 1.510±0.06 g/cm3(Predicted)
물리적 상태
가루
산도 계수 (pKa)
3.49 · 3.49±0.10(Predicted)
색상
노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];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, P317, 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 4 reports by companies from 4 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. 4 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (25%);STOT SE 3 (100%)

안전 데이터

HS 번호
2913000090
hazard_code
Xi
위험 등급
IRRITANT

화학 및 산업

공급사10 곳

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

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1건

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