(R)-(-)-3-브로모-2-메틸-1-프로판올

(R)-(-)-3-Bromo-2-methyl-1-propanol

HCID 10441885

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 93381-28-3
표준 SMILES: C[C@H](CO)CBr
InChIKey: KIBOHRIGZMLNNS-BYPYZUCNSA-N
분자식: C4H9BrO
평균 분자량: 153.02 g/mol
단동위원소 질량: 151.98367701

이름 및 식별자

우선 이름: (R)-(-)-3-Bromo-2-methyl-1-propanol
IUPAC: (2R)-3-bromo-2-methylpropan-1-ol
현지명: (R)-(-)-3-브로모-2-메틸-1-프로판올
영어명: (R)-(-)-3-Bromo-2-methyl-1-propanol
분자식: C4H9BrO
분자량: 153.02

이름 및 동의어

93381-28-3(R)-(-)-3-Bromo-2-methyl-1-propanolDTXSID30439884RefChem:70214DTXCID50390706628-179-6KIBOHRIGZMLNNS-BYPYZUCNSA-N(R)-3-Bromo-2-methylpropan-1-ol(2r)-3-bromo-2-methylpropan-1-ol(R)-3-bromo-2-methyl-1-propanolMFCD00013302(2R)-3-Bromo-2-methyl-propan-1-ol

이름 더 보기

(R)-(-)-3-브로모-2-메틸-1-프로판올Benzyl Bromide LR>=96.0% (suM of enantioMers, GC)1-Propanol, 3-bromo-2-methyl-, (2R)-(R)-(-)-3-BroMo-2-Methyl-1-propanol 97%(R)-(?)-3-Bromo-2-methyl-1-propanol

SCHEMBL381232(2R)-3-bromo-2-methyl-1-propanol(R)-3-bromo-2-methyl-propan-1-ol(R)-(-)-3-bromo-2-methyl1-propanol(R)-(-)-3bromo-2-methyl-1-propanol(R)-(+)-3-bromo-2-methyl-1-propanolAS-607663-Bromo-2-methyl-1-propanol #

데이터베이스 식별자

CAS: 93381-28-3
PubChem CID: 10441885
DTXSID: DTXSID30439884
EC Number: 628-179-6
Nikkaji: J1.374.858F

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: 73 · 73-74 °C9 mm Hg(lit.)
밀도: 1.461 g/mL · 1.461 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.4840(lit.)
인화점: 187 °F · 187 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 14 · 14+-.0.10(Predicted)
BRN: 3600269 · 3600269
InChI: 1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKey: KIBOHRIGZMLNNS-BYPYZUCNSA-N
SMILES: C[C@H](CO)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(R)-()-3-Bromo-2-methyl-1-propanol is used as a starting material in the total syntheses of epothilone C and bistramide A. It can also be used as a structural modifier in the homochiral porous molecular networks.