CAS 261904-39-6 (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid (HCID 10582468)

기본 정보

CAS: 261904-39-6
표준 SMILES: C[C@](O)(CBr)C(=O)O
InChIKey: HBJAYXGUOOININ-BYPYZUCNSA-N
분자식: C4H7BrO3
평균 분자량: 183 g/mol
단동위원소 질량: 181.95786

이름 및 식별자

우선 이름: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
IUPAC: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
현지명: (2R)-3-브로모-2-하이드록시-2-메틸프로판산
영어명: (2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid
분자식: C4H7BrO3
분자량: 183

이름 및 동의어

261904-39-6(2R)-3-BROMO-2-HYDROXY-2-METHYLPROPANOIC ACIDDTXSID80441952RefChem:206659DTXCID80392773803-682-5(R)-3-bromo-2-hydroxy-2-methylpropanoic acidPropanoic acid, 3-bromo-2-hydroxy-2-methyl-, (2R)-(2R)-3-Bromo-2-hydroxy-2-methylpropionic acidMFCD09751022(R)-3-Bromo-2-hydroxy-2-methylpropanic acid(R)-3-Bromo-2-hydroxy-2-methylpropionic Acid

이름 더 보기

(2R)-3-브로모-2-하이드록시-2-메틸프로판산136665Flutamide Impurity 11(2R)-3-Bromo-2-hydroxy-2-methylpropionicaci(2R)-3-Austral-2-Hydroxy-2-Methylpropionic acid(R)-3-Bromo-2-hydroxy-2-methylpropionic Acid >Propanoic acid,3-bromo-2-hydroxy-2-methyl-, (2R)

(2R)-3-Bromo-2-hydroxy-2-MethylpropanoicacidSCHEMBL108972AKOS016842294CS-W019154SY112098B4819(2r)-3-bromo2-hydroxy-2-methylpropanoic acid(2R)3-Bromo-2-hydroxy-2-methylpropanoic Acid

데이터베이스 식별자

CAS: 261904-39-6
PubChem CID: 10582468
DTXSID: DTXSID80441952
EC Number: 803-682-5
Nikkaji: J2.117.601J

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 103

물리화학적 성질

녹는점: 113 to · 113.0 to 117.0 °C
끓는 점: 294.5 · 294.5±25.0 °C(Predicted)
밀도: 1.831 · 1.831±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.39 · 3.39±0.16(Predicted)
색상: 회백색
InChI: InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey: HBJAYXGUOOININ-BYPYZUCNSA-N
SMILES: C(O)(=O)[C@](O)(C)CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.