2-Bromoisovaleric acid

HCID 11268CAS 565-74-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)C(Br)C(=O)O
InChIKey
UEBARDWJXBGYEJ-UHFFFAOYSA-N
분자식
C5H9BrO2
평균 분자량
181.03 g/mol
단동위원소 질량
179.97859

이름 및 식별자

우선 이름
2-Bromoisovaleric acid
IUPAC
2-bromo-3-methylbutanoic acid
영어명
2-Bromo-3-methylbutyric acid
분자식
C5H9BrO2
분자량
181.03

이름 및 동의어

2-Bromoisovaleric acidRefChem:555416565-74-22-Bromo-3-methylbutyric acid2-Bromo-3-methylbutanoic acidButanoic acid, 2-bromo-3-methyl-alpha-Bromoisovaleric acid2-Bromo-3-methylbutyricacidButyric acid, 2-bromo-3-methyl-NSC 167EINECS 209-291-0UNII-M69LGV465C
이름 더 보기
2-broMo acid2-BromoisovaLUNII:M69LGV465C2-Bromo-iso-acid-Bromo-iso-valericacidA-BROMOISOVALERIC ACIDα-bromo isovaleric acid2-BROMOISOPENTANOIC ACID
.alpha.-Bromoisovaleric acidMFCD00004210BRN 1721146M69LGV465CAI3-21065169320-29-0NSC-167NSC-6967

데이터베이스 식별자

CAS
565-74-2
PubChem CID
11268
DTXSID
DTXSID30870617
UNII
M69LGV465C
EC Number
209-291-0
Nikkaji
J6.513G

물성

구조 계산 물성

XLogP
1.9
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
8

물리화학적 성질

녹는점
39 · 39-42 °C(lit.)
끓는 점
124 · 124-126 °C20 mm Hg(lit.)
밀도
1.421 · 1.4210 (rough estimate)
굴절률
1.479 · 1.4790 (estimate)
인화점
107 °C · 107°C
저장 조건
2 · Storage temp. 2-8°C

화학적 성질

WHITE TO BEIGE CRYSTALLINE POWDER OR CHUNKS

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 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: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (93.8%)；Skin Corr. 1B (100%)

규제 정보

Regulatory Information · 2건

Chemical: Butanoic acid, 2-bromo-3-methyl-

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30273

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
ES8055000
ridadr
UN 3261 8/PG 2
HS 번호
29159080
risk_code
21/22-34

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 2-bromo-3-methyl-: ACTIVE

응용 분야

용도2-Bromo-3-methylbutyric acid was used to study the conjugation of glutathione (GSH) with (R)-and (S)-α-bromoisovaleric acid (BI) in the rat 1 .

일반 설명Mechanism of action of methylamine on optically active 2-bromo-3-methylbutyric acid has been investigated.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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