4-브로모벤즈알데하이드

4-Bromobenzaldehyde

HCID 70741CAS 1122-91-4

기본 정보

표준 SMILES
O=Cc1ccc(Br)cc1
InChIKey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
분자식
C7H5BrO
평균 분자량
185.02 g/mol
단동위원소 질량
183.95238

이름 및 식별자

우선 이름
4-Bromobenzaldehyde
IUPAC
4-bromobenzaldehyde
현지명
4-브로모벤즈알데하이드
영어명
4-Bromobenzaldehyde
분자식
C7H5BrO
분자량
185.02

이름 및 동의어

4-Bromobenzaldehydep-BromobenzaldehydeBenzaldehyde, 4-bromo-Benzaldehyde, p-bromo-4-formylbromobenzene1-bromo-4-formylbenzene4-BrombenzaldehydBENZALDEHYDE,4-BROMOEINECS 214-365-0NSC 216384-FORMYLPHENYL BROMIDEUNII-4L8VM24F65
이름 더 보기
4-브로모벤즈알데하이드4-브로모벤즈알데히드Bromobenzaldehyde4-BBA4-bromo-benzaldehyd4-BROMOBENZYLALDEHYDE4-Bromobenzaldehyde99%BRBA1DK4844-BromobenzaL
DTXSID50615344L8VM24F65NSC-216384-FORMYL-1-BROMOBENZENEpBromobenzaldehydeBenzaldehyde, pbromoBenzaldehyde, 4bromoRefChem:98176

데이터베이스 식별자

CAS
1122-91-4
PubChem CID
70741
DTXSID
DTXSID5061534
ChEMBL
CHEMBL3753357
UNII
4L8VM24F65
EC Number
214-365-0
Nikkaji
J30.727K

물성

구조 계산 물성

XLogP
2.2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index1207.1;1216.5;1229

물리화학적 성질

녹는점
55 · 55-58 °C(lit.)
끓는 점
66 · 66-68°C 2mm
밀도
1.85 g/cm3 · 1.85 g/cm3
굴절률
1.5727 · 1.5727 (estimate)
인화점
228 °F · 228 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

white crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.3% (1 of 78) of reports.

Danger

H302 (73.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (48.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (94.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 78 reports by companies.;There are 16 notifications provided by 77 of 78 reports by companies with hazard statement code(s).;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

Regulatory Information · 3건

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (73.1%);Skin Irrit. 2 (98.7%);Eye Irrit. 2A (98.7%);Resp. Sens. 1 (48.7%);STOT SE 3 (94.9%)

규제 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 4-bromo-

Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19372

4-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CU4810000
ridadr
2811
HS 번호
29130000
risk_code
22-36/37/38-43

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-bromo-: ACTIVE
응용 분야 · 1건

용도4-Bromobenzaldehyde is widely utilized as an intermediate for the preparation of agrochemicals, pharmaceuticals and other organic compounds. It is used as a precursor and reacts with sulfamethoxazole to prepare Schiffs base, 4-[(4-Bromo-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide, which can be used for the photo stability of polyvinyl chloride (PVC). It plays an important role in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. It is employed in a cross-coupling study with potassium vinyltrifluoroborate.

제조 방법

4-Bromobenzaldehyde is prepared by 2-Iodoxy-5-Methylbenzenesulfonic Acid-Catalyzed Selective Oxidation of 4-Bromobenzyl Alcohol.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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