Hexane, 1,2-dibromo-

HCID 102451CAS 624-20-4

기본 정보

표준 SMILES: CCCCC(Br)CBr
InChIKey: NUUUANNAZVEWHM-UHFFFAOYSA-N
분자식: C6H12Br2
평균 분자량: 243.97 g/mol
단동위원소 질량: 241.93058

이름 및 식별자

우선 이름: Hexane, 1,2-dibromo-
IUPAC: 1,2-dibromohexane
영어명: 1,2-Dibromohexane
분자식: C6H12Br2
분자량: 243.97

이름 및 동의어

1,2-Dibromohexane624-20-4Hexane, 1,2-dibromo-DTXSID40883511RefChem:146111DTXCID001023039613-031-5NUUUANNAZVEWHM-UHFFFAOYSA-N1,2-dibromo-hexaneMFCD002393461,2-Dibromohexane, 98%SCHEMBL95808

이름 더 보기

1,2-Dbromohexane1,2-dibromo-hexan1,2-DIBROMOHEXANE, 97+%1-(4-cyclohexylphenyl)-2-(dibutylamino)ethanol

SCHEMBL597769SCHEMBL623787SCHEMBL7871159AKOS015913228AS-76895SY357027CS-0297339NS00123887

데이터베이스 식별자

CAS: 624-20-4
PubChem CID: 102451
DTXSID: DTXSID40883511
EC Number: 613-031-5
Nikkaji: J79.762F

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 45

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1135

1129

물리화학적 성질

끓는 점: 89 · 89-90 °C/18 mmHg (lit.)
밀도: 1.577 g/mL · 1.577 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 230 °F · >230 °F
InChI: 1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey: NUUUANNAZVEWHM-UHFFFAOYSA-N
SMILES: CCCCC(Br)CBr
EPA: 1 · Hexane, 1,2-dibromo- (624-20-4)

화학적 성질

Clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.