tert-Butyl 2-bromopropanoate

HCID 545327CAS 39149-80-9

기본 정보

표준 SMILES: CC(Br)C(=O)OC(C)(C)C
InChIKey: CVAWKJKISIPBOD-UHFFFAOYSA-N
분자식: C7H13BrO2
평균 분자량: 209.08 g/mol
단동위원소 질량: 208.00989176

이름 및 식별자

우선 이름: tert-Butyl 2-bromopropanoate
IUPAC: tert-butyl 2-bromopropanoate
영어명: 2-Bromopropionic acid tert-butyl ester
분자식: C7H13BrO2
분자량: 209.08

이름 및 동의어

tert-Butyl 2-bromopropanoate39149-80-9DTXSID403378871,1-dimethylethyl 2-bromopropanoateRefChem:892546DTXCID70288974675-664-32-Bromopropionic acid tert-butyl estertert-Butyl 2-BromopropionateMFCD00043897t-butyl 2-bromopropionatePropanoic acid, 2-bromo-, 1,1-dimethylethyl ester

이름 더 보기

ert-butyl2-bromopropanoateBromopropionicacidbutylestertert-Butyl2-Bromopropionate>BROMOPROPIONIC ACID TERT-BUTYL ESTERtert-butyl 2-bromopropionate, 97%min2-Bromo propionic acid tert buty ester2-bromopropanoic acid tert-butyl ester

tert-butyl-2-bromopropionatetert-Butyl 2-bromopropanoate #2-bromo-propionic acid tert-butyl ester2-bromopropionic acid, tert-butyl esterSY052208tert-Butyl 2-bromopropanoate, AldrichCPR(+/-) 2-Bromopropionic acid tert-butyl estertert-butyl2-bromopropanoate

데이터베이스 식별자

CAS: 39149-80-9
PubChem CID: 545327
DTXSID: DTXSID40337887
EC Number: 675-664-3
Nikkaji: J208.135K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 90 °C · 90 °C / 60mmHg
밀도: 1 · 1,26 g/cm3
굴절률: 1.438 · 1.4380-1.4410
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKey: CVAWKJKISIPBOD-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)C(Br)C

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 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.