CAS 1974-04-5 2-Bromoheptane (HCID 16090)

基本情報

CAS: 1974-04-5
標準SMILES: CCCCCC(C)Br
InChIKey: HLAUCEOFCOXKNF-UHFFFAOYSA-N
分子式: C7H15Br
平均分子量: 179.1 g/mol
単同位体質量: 178.03571258

名称と識別子

優先名称: 2-Bromoheptane
IUPAC: 2-bromoheptane
現地名: 2-ブロモヘプタン
英語名: 2-Bromoheptane
分子式: C7H15Br
分子量: 179.1

名称と別名

2-BROMOHEPTANEHeptane, 2-bromo-DTXSID40870921EINECS 217-824-3NSC 11768RefChem:85875DTXCID00818602217-824-3HLAUCEOFCOXKNF-UHFFFAOYSA-N1974-04-52-Heptyl bromide6-bromoheptane

名称をさらに表示

1-メチルヘキシルブロミド2-ブロモヘプタン2-bromo-heptan2-heptylbromideheptane,2-bromo-1-methylhexyl bromide2-BROMOHEPTANE, TECH.2-Bromoheptane technical grade2-Bromoheptane 1g [1974-04-5]

NSC11768MFCD00000164(1-methyl)hexylbromide(1-methyl) hexylbromideSCHEMBL43151SCHEMBL1896962SCHEMBL4539810SCHEMBL6055956

データベース識別子

CAS: 1974-04-5
PubChem CID: 16090
DTXSID: DTXSID40870921
EC Number: 217-824-3
Nikkaji: J97.469B

物性

構造計算による物性

XLogP: 3.8
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 4
重原子数: 8
形式電荷: 0
複雑度: 43.7

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: 47 °C · 47°C
沸点: 64 · 64-66 °C/21 mmHg (lit.)
比重(密度): 1.142 g/mL · 1.142 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.447(lit.)
闪点: 117 °F · 117 °F
BRN: 1731556 · 1731556
InChI: InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
InChIKey: HLAUCEOFCOXKNF-UHFFFAOYSA-N
SMILES: CC(Br)CCCCC
CAS データベース: 1974 · 1974-04-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Heptane, 2-bromo-(1974-04-5)
EPAの化学物質情報: 2 · Heptane, 2-bromo- (1974-04-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationHeptane, 2-bromo-: INACTIVE

応用分野

使用2-Bromoheptane has been used in the preparation of:racemic alcohol, 2-methylheptanolglutathione (GSH) derivativesGSH analog that contains tetrazole isostere (Tet-sHep)