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4-브로모벤즈알데하이드

4-Bromobenzaldehyde

HCID 70741
새 노트새 반응견적 요청하기
인쇄 미리보기

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1122-91-4
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 물성보충 중

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
형식 전하
0
복잡도
95

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.
용해도
클로로포름, 에틸아세테이트에 용해됨
물리적 상태
결정질 고체
색상
하얀색
수용성
불용성
BRN
507100 · 507100
InChI
1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
SMILES
[H]C(=O)c1ccc(Br)cc1
LogP
2.75 at · 2.75 at 25℃

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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 Categories

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.

상·하류 제품 정보

상류 원료

탄산칼슘4-브로모톨루엔Methanediol, 1-(4-bromophenyl)-, 1,1-diacetate4-Bromobenzaldehyde phenylhydrazone

하류 제품

2-Hydrazinopyridine4-포르밀페닐보론산4-Bromobenzyl alcohol

관련 반응

750건
반응 기록 만들기
HRID 6606 반응식
HRID 6606반응물로uspto-grants-2006_08
HRID 7195 반응식
HRID 7195반응물로uspto-grants-2006_08
HRID 8976 반응식
HRID 8976반응물로uspto-grants-2006_08
HRID 8978 반응식
HRID 8978반응물로uspto-grants-2006_08
HRID 10622 반응식
HRID 10622반응물로uspto-grants-2006_08
HRID 13880 반응식
HRID 13880반응물로uspto-grants-2010_06
HRID 13899 반응식
HRID 13899반응물로uspto-grants-2010_06
HRID 15002 반응식
HRID 15002반응물로uspto-grants-2010_06
1 / 94 페이지

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더보기
새 노트새 반응견적 요청하기
NIST
4 · Benzaldehyde, 4-bromo-(1122-91-4)
EPA
4 · Benzaldehyde, 4-bromo- (1122-91-4)

화학적 성질

white crystalline solid

Acute 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
2913000090
risk_code
22-36/37/38-43
hazard_code
Xn,Xi
safety_code
26-36/37-36/37/39-22
포장분류
III
위험 등급
6.1(b)
기존화학 물질
KE-03621
위험 참고 사항
Irritant/Harmful/Air Sensitive
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스
11 - Combustible Solids
6-Bromoisoquinoline
2-Hydrazino-6-methylpyrimidin-4-ol
1-(4-Morpholinobutyl)hydrazine
6-브로모인돌-2-카르복실산
(6-BROMO-1H-INDOL-2-YL)메탄올
6-브로모-1H-인돌-2-카발데하이드
에틸6-브로모인돌-2-카르복실레이트
4-(Hydroxymethyl)phenylboronic acid
1-(3-(pyrrolidin-1-yl)propyl)hydrazine
4-(3-티에닐)벤잘데히드
1-(4-(Pyrrolidin-1-yl)butyl)hydrazine
4-브로모벤질아민
1,3,5-트리스(p-포르밀페닐)벤젠
1-(4-브로모페닐)헥산
4-Hex-1-이닐벤즈알데히드
3-HYDRAZINOPYRIDINE Dihydrochloride