2-브로모벤조산

2-Bromobenzoic acid

HCID 6940CAS 25638-04-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1ccccc1Br
InChIKey
XRXMNWGCKISMOH-UHFFFAOYSA-N
분자식
C7H5BrO2
평균 분자량
201.02 g/mol
단동위원소 질량
199.94729

이름 및 식별자

우선 이름
2-Bromobenzoic acid
IUPAC
2-bromobenzoic acid
현지명
2-브로모벤조산
영어명
2-Bromobenzoic acid
분자식
C7H5BrO2
분자량
201.02

이름 및 동의어

2-BROMOBENZOIC ACID88-65-3o-Bromobenzoic acidBenzoic acid, 2-bromo-Benzoic acid, o-bromo-AZ789TZS4LNSC-6976DTXSID3038690RefChem:467214DTXCID1018690201-848-62-Bromobenzoate
이름 더 보기
2-브로모벤조산2-BromobenzoicEINECS2Pramipexol 61bromobenzoicacid2-Brombenzoesure2-BROMO BENZOIC A2-bromo-benzoicaci
Bromobenzoic acidMFCD00002402Benzoic acid, bromo-2-Bromobenzoic aicd2-bromo benzoic acid2-Bromo-benzoic acid25638-04-42-Bromobenzoicacid

데이터베이스 식별자

CAS
25638-04-4、88-65-3
PubChem CID
6940
DTXSID
DTXSID3038690
ChEMBL
CHEMBL115950
UNII
AZ789TZS4L
EC Number
201-848-6
Nikkaji
J94.961B

물성

구조 계산 물성

XLogP
2.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

Vapor Pressure0.000827 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Kovats Retention Index1459

물리화학적 성질

녹는점
147 · 147-150 °C (lit.)
끓는 점
86 °C · 86 °C(Press: 4-5 Torr)
밀도
1 · 1,929 g/cm3
증기압
1 mm · >1 mm Hg ( 20 °C)
굴절률
1.608 · 1.6080 (estimate)
인화점
100 °C · >100°C

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94%): 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 50 reports by companies from 9 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

Regulatory Information · 2건

Chemical: Benzoic acid, 2-bromo-

Benzoic acid, 2-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See o-Chlorobenzoic acid.
Hazard Classes and CategoriesAcute Tox. 4 (80%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (100%)；STOT SE 3 (94%)

규제 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 2-bromo-

Benzoic acid, 2-bromo-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DG4448035
HS 번호
29163900
risk_code
36/37/38-36-37/38-22
hazard_code
Xi,Xn

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-bromo-: ACTIVE

응용 분야

용도2-Bromobenzoic acid was used in the synthesis of new zinc(II) 2-bromobenzoate complex compounds. It was used as the starting reagent in the synthesis of hemilabile benzimidazolyl phosphine ligands.

일반 설명2-Bromobenzoic acid (2-BA) on condensation with aminoquinolines yields phenylquinolylamines. 2-BA is the common building block for synthesis of various nitrogen heterocycles.

상·하류 제품 정보

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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