(S)-(+)-3-Bromo-2-methyl-1-propanol

HCID 10986449

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98244-48-5
표준 SMILES: C[C@@H](CO)CBr
InChIKey: KIBOHRIGZMLNNS-SCSAIBSYSA-N
분자식: C4H9BrO
평균 분자량: 153.02 g/mol
단동위원소 질량: 151.98367701

이름 및 식별자

우선 이름: (S)-(+)-3-Bromo-2-methyl-1-propanol
IUPAC: (2S)-3-bromo-2-methylpropan-1-ol
영어명: (S)-(+)-3-Bromo-2-methyl-1-propanol
분자식: C4H9BrO
분자량: 153.02

이름 및 동의어

98244-48-5(S)-(+)-3-Bromo-2-methyl-1-propanolDTXSID30450756RefChem:70369DTXCID80401576628-633-3KIBOHRIGZMLNNS-SCSAIBSYSA-N(S)-3-Bromo-2-methylpropan-1-ol(2S)-3-bromo-2-methylpropan-1-ol(2S)-3-Bromo-2-methyl-propan-1-ol(S)-3-bromo-2-methyl-1-propanolMFCD00064575

이름 더 보기

3-Bromo-2-Methyl-1-Propanol(S)-3-BROMO-2-METHYL-PROPANOL(2S)-3-Bromo-2-methyl-1-propanol3-Bromo-2-methyl-1-propanolS-form1-Propanol, 3-bromo-2-methyl-, (2S)-(S)-(+)-3-BroMo-2-Methyl-1-propanol 97%(S)-3-Bromo-2-methylpropan-1-ol - [B91950]

(S)-3-bromo-2-methylpropanolSCHEMBL240970(S)-2-methyl-3-bromopropanolBDBM36058(S)-3-Bromo-2-methyl-propan-1-olAKOS015909897AS-60622CS-0101486

데이터베이스 식별자

CAS: 98244-48-5
PubChem CID: 10986449
DTXSID: DTXSID30450756
EC Number: 628-633-3
Nikkaji: J1.317.139D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 30.7

물리화학적 성질

끓는 점: 177.5 · 177.5±0.0 °C(Predicted)
밀도: 1.461 g/mL · 1.461 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.483(lit.)
인화점: 198 °F · 198 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 14 · 14+-.0.10(Predicted)
BRN: 4738280 · 4738280
InChI: InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m1/s1
InChIKey: KIBOHRIGZMLNNS-SCSAIBSYSA-N
SMILES: C(O)[C@H](C)CBr

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 39 reports by companies from 2 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: NA 1993 / PGIII
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 9
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(2S)-3-Bromo-2-methyl-1-propanol is used as a reagent in the preparation of of pyrazolopyrimidinamine derivatives and their tyrosine and phosphinositide kinase inhibitory activity.