브로모숙신산

Bromosuccinic acid

HCID 73557CAS 923-06-8

기본 정보

표준 SMILES: O=C(O)CC(Br)C(=O)O
InChIKey: QQWGVQWAEANRTK-UHFFFAOYSA-N
분자식: C4H5BrO4
평균 분자량: 196.98 g/mol
단동위원소 질량: 195.93712074

개요

Bromosuccinic acid is a dicarboxylic acid that is succinic acid substituted at position 2 by a bromine atom. It is a 2-bromocarboxylic acid and a dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a bromosuccinate.

이름 및 식별자

우선 이름: Bromosuccinic acid
IUPAC: 2-bromobutanedioic acid
현지명: 브로모숙신산
영어명: Bromosuccinic acid
분자식: C4H5BrO4
분자량: 196.98

이름 및 동의어

Bromosuccinic acid2-Bromosuccinic acid923-06-8Monobromosuccinic acidDL-bromosuccinic acidRS-bromosuccinic acid(+-)-bromosuccinic acidO3K54IBV7FCHEBI:73712NSC-2278722-bromobutanedioic acid;2-bromosuccinic acidRefChem:917613

이름 더 보기

브로모숙신산BromobutanedioicaicdMonobromosuccinicacidBromosuccinicacid,96%BroMosuccinic acid 98%

213-087-72-bromobutanedioic acidButanedioic acid, bromo-Bromobutanedioic acidSuccinic acid, bromo-MFCD00004213Bromosuccinic acid, 98%NSC 227872

데이터베이스 식별자

CAS: 923-06-8
PubChem CID: 73557
DTXSID: DTXSID70870797
ChEBI: CHEBI:73712
UNII: O3K54IBV7F
EC Number: 213-087-7
Nikkaji: J5.215I、J552E

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

물리화학적 성질

녹는점: 161 · 161-163 °C(lit.)
끓는 점: 255 ℃ · 255℃
밀도: 2.073 · 2.073
굴절률: 1.462 · 1.4620 (estimate)
인화점: 108 ℃ · 108℃
저장 조건: Refrigerator
용해도: 에테르에 불용성.
산도 계수 (pKa): 1 · pK1: 2.55;pK2: 4.41 (25°C)
물리적 상태: 고체
색상: 하얀색
수용성: 120 g/L · 120g/L(15.5ºC)
Merck: 14 · 14,1437
BRN: 1723556 · 1723556
InChI: InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey: QQWGVQWAEANRTK-UHFFFAOYSA-N
SMILES: C(O)(=O)C(Br)CC(O)=O

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29171990
risk_code: 36/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Bromosuccinic acid is an important precursor in many chemicals used in the food, chemical and pharmaceutical fields. It is also used as a reagent to prepare L-Hydrazinosuccinic acid.