1-Bromo-3,7-dimethyloctane

HCID 137914CAS 3383-83-3

기본 정보

표준 SMILES: CC(C)CCCC(C)CCBr
InChIKey: VGSUDZKDSKCYJP-UHFFFAOYSA-N
분자식: C10H21Br
평균 분자량: 221.18 g/mol
단동위원소 질량: 220.08266277

이름 및 식별자

우선 이름: 1-Bromo-3,7-dimethyloctane
IUPAC: 1-bromo-3,7-dimethyloctane
영어명: 1-Bromo-3,7-dimethyloctane
분자식: C10H21Br
분자량: 221.18

이름 및 동의어

1-Bromo-3,7-dimethyloctane3383-83-3DTXSID70955417RefChem:75090DTXCID10972401807-978-5VGSUDZKDSKCYJP-UHFFFAOYSA-N3,7-Dimethyloctyl bromide1-Bromo-3,7-dimethyl octaneMFCD000392013,7 dimethyloctylbromide1-Bromo-3,7-dimethyloctane, 96%

이름 더 보기

DK746DKSI003DKFELEX0193

(+/-)-1-bromo-3,7-dimethyloctaneCS-W014739DS-4865Perhydrogeranyl BromideTetrahydrogeranyl BromideDihydrocitronellyl Bromide3,7-Dimethyl-1-bromooctaneOctane, 1-bromo-3,7-dimethyl-

데이터베이스 식별자

CAS: 3383-83-3
PubChem CID: 137914
DTXSID: DTXSID70955417
EC Number: 807-978-5
Nikkaji: J37.639F

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 78.9

물리화학적 성질

끓는 점: 135 · 135-140 °C10 mm Hg(lit.)
밀도: 1.066 g/mL · 1.066 g/mL at 20 °C
굴절률: 20 · n20/D 1.455(lit.)
인화점: 210 °F · 210 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: 1S/C10H21Br/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
InChIKey: VGSUDZKDSKCYJP-UHFFFAOYSA-N
SMILES: CC(C)CCCC(C)CCBr

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.