CAS 42990-28-3 (2R)-2-bromo-4-methylpentanoic acid (HCID 12697060)

기본 정보

CAS: 42990-28-3
표준 SMILES: CC(C)C[C@@H](Br)C(=O)O
InChIKey: NNFDHJQLIFECSR-RXMQYKEDSA-N
분자식: C6H11BrO2
평균 분자량: 195.05 g/mol

이름 및 식별자

우선 이름: (2R)-2-bromo-4-methylpentanoic acid
IUPAC: (2R)-2-bromo-4-methylpentanoic acid
영어명: (R)-2-bromo-4-methylpentanoic acid
분자식: C6H11BrO2
분자량: 195.05

이름 및 동의어

42990-28-3(2R)-2-bromo-4-methylpentanoic acidRefChem:397218987-660-1(R)-2-bromo-4-methylpentanoic acidMFCD00211266Pentanoic acid, 2-bromo-4-methyl-, (R)-Pentanoic acid, 2-bromo-4-methyl-, (2R)-(R)-2-Bromo-4-methylvaleric acid(S)-2-BROMO-4-METHYLVALERIC ACIDSCHEMBL489803NNFDHJQLIFECSR-RXMQYKEDSA-N

이름 더 보기

2(R)-Bromo-4-metylpentanoic acid2(R)-bromo-4-methylpentanoic acid(R)-2-Bromo-4-methvlpentanoic acid(R)-2-bromo-4-methyl valeric acidAKOS032971364AT22422(2R)-2-bromo-4-methyl-pentanoic acidEN300-6744719

데이터베이스 식별자

CAS: 42990-28-3
PubChem CID: 12697060
EC Number: 987-660-1
Nikkaji: J84.521C

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.