2-Bromobutanoic acid (HCID 6655)

이름 및 식별자

우선 이름: 2-Bromobutanoic acid
IUPAC: 2-bromobutanoic acid
현지명: α-브로모부틸산
영어명: 2-Bromobutyric acid
분자식: C4H7BrO2
분자량: 167

이름 및 동의어

2-Bromobutanoic acidRefChem:858572-BROMOBUTYRIC ACID80-58-0alpha-Bromobutyric acidButanoic acid, 2-bromo-2385-70-8Butyric acid, 2-bromo-Procaterol Impurity 8.alpha.-Bromobytyric acidMCO6PW23BT(+/-)-2-bromobutyric acid

이름 더 보기

2-브로모부틸산α-브로모부틸산2-브로모뷰티르산Procaterol 16AKOS BBS-00004219α-Bromobutyricacid2-bromo-butanoicacia-Bromobutyric Acidα-bromo-butanoic aciddl-2-Bromobutyricacid2-Bromobutyricacid,98%

.alpha.-Bromo-n-butyric acidButyric acid, .alpha.-bromo-NSC-80242-Bromobutanoicaciddl-2-Bromobutyric acidUNII-MCO6PW23BTButyric acid, alpha-bromo-bromobutyric acid

데이터베이스 식별자

CAS: 80-58-0
PubChem CID: 6655
DTXSID: DTXSID90861642
UNII: MCO6PW23BT
EC Number: 201-294-5
Nikkaji: J38.169A

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 72.1

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

LogP1.42

Vapor Pressure0.1 [mmHg]

Physical DescriptionOily liquid; [Merck Index]

물리화학적 성질

녹는점: -4 °C · -4 °C (lit.)
끓는 점: 99 · 99-103 °C/10 mmHg (lit.)
밀도: 1.567 g/mL · 1.567 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.474(lit.)
인화점: 230 °F · >230 °F
저장 조건: room temp
용해도: 15 · 물: 용해성15부
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1: 2.939 (35°C)
색상: 맑은 노란색
수용성: 66 g/L · 66g/L(20℃)
Merck: 14 · 14,1413
BRN: 1720950 · 1720950
Dielectric constant: 7.2 · 7.2(20℃)
주요 응용: 환경
InChI: 1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey: YAQLSKVCTLCIIE-UHFFFAOYSA-N
NIST: 2 · 2-Bromobutyric acid(80-58-0)
EPA: 2 · 2-Bromobutyric acid (80-58-0)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 12-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20431

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

Hazards SummaryCorrosive; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Alfa Aesar MSDS] See 3-Bromopropionic acid.

Hazard Classes and CategoriesAcute Tox. 4 (94.4%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3265
독성: LD50 orally in mice: 310 mg/kg (Morrison)
HS 번호: 29349990
risk_code: 22-36/37/38-34-38-11
hazard_code: Xn,C,F
safety_code: 26-28A-24-16-9-2-45-36/37/39
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationButanoic acid, 2-bromo-: ACTIVE

응용 분야

용도2-Bromobutyric acid was used in the synthesis of S-(1-carboxypropyl)-L-cysteine.

상·하류 제품 정보

상류 원료

부탄 산 브롬

하류 제품

(±)-N-(2,6-디메틸페닐)-2-(에틸프로필아미노)부티르아미드모노염산염 2-에틸아크릴산98 2-bromo-N-(2-chlorobenzyl)butanamide Butanoic acid, 2-(hydroxyimino)-, (E)- (9CI)2-(4-tert-Butylphenoxy)butanoic acid 2-Ethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

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]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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α-브로모부틸산

기본 정보