알파-브로모페닐아세트 산

Bromo(phenyl)acetic acid

HCID 97919CAS 4870-65-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C(Br)c1ccccc1
InChIKey: WAKFRZBXTKUFIW-UHFFFAOYSA-N
분자식: C8H7BrO2
평균 분자량: 215.04 g/mol
단동위원소 질량: 213.96294156

이름 및 식별자

우선 이름: Bromo(phenyl)acetic acid
IUPAC: 2-bromo-2-phenylacetic acid
현지명: 알파-브로모페닐아세트 산
영어명: 2-Bromo-2-phenylacetic acid
분자식: C8H7BrO2
분자량: 215.04

이름 및 동의어

4870-65-9Bromo(phenyl)acetic acidbromophenylacetic acidBenzeneacetic acid, .alpha.-bromo-EINECS 225-477-4DTXSID401314228NSC 59241RefChem:570301Benzeneacetic acid, alpha-bromo-DTXCID30869743225-477-42-bromo-2-phenylacetic acid

이름 더 보기

알파-브로모페닐아세트산알파-브로모페닐아세트산(ALPHA-BROMOPHENYLACETICACID)A-BROMOPHENYLACETIC ACID(S)-2-Bromo-2-Phenylacetic AcidDL- NSC 59241α-BromophenyLTIMTEC-BB SBB007654S-2--Bromo -2-phenylLABOTEST-BB LT00455397Phenylbromoacetic acidα-Bromophenylacetic acid

alpha-Bromophenylacetic acidMFCD00004206BROMO-PHENYLACETIC ACID.alpha.-Bromophenylacetic aciddl-.alpha.-Bromophenylacetic acidbromo(phenyl)aceticacidbromo (phenyl)aceticacidbromo (phenyl)acetic acid

데이터베이스 식별자

CAS: 4870-65-9
PubChem CID: 97919
DTXSID: DTXSID401314228
EC Number: 225-477-4
Nikkaji: J62.848D

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 82 · 82-83 °C(lit.)
끓는 점: 120 · 120-121 °C(Press: 0.02 Torr)
밀도: 1.643 · 1.643±0.06 g/cm3(Predicted)
저장 조건: 30 °C · Store below +30°C.
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 2.21 (25°C)
색상: 흰색에서 거의 흰색
InChI: 1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKey: WAKFRZBXTKUFIW-UHFFFAOYSA-N
SMILES: OC(=O)C(Br)c1ccccc1
NIST: «ALPHA»-bromophenylacetic acid(4870-65-9)

화학적 성질

Beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzeneacetic acid, .alpha.-bromo-

Bromophenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29163900
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-05-0237
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도α-Bromophenylacetic acid can be used as a reactant to prepare: Polymandelide by reacting with triethylamine. α-Mercaptophenylacetic acid by treating with sodium hydrosulfide (NaSH·H2O). β-Lactams by reacting with imines in the presence of triphenylphosphine as a mediator.

상·하류 제품 정보

상류 원료

2,2-Oxiranedicarbonitrile, phenyl-Benzeneacetyl bromide, α-bromo-alpha-Bromophenylacetyl chloride Bromochloroacetic acid 1,1-디브로모-2-페닐에텐 2-Amino-2-phenylacetic acid 벤즈알데하이드 이소프로필아크릴아마이드브롬화물 Sodium phenylacetate 페닐초산 벤조산 벤젠

하류 제품

DL-alpha-Methoxyphenylacetic acid tert-butyl 2-bromo-2-phenylacetate Benzeneacetic acid, α-(acetylthio)-

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

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南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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