1-Bromoheptane

HCID 12369CAS 629-04-9
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCCBr
InChIKey
LSXKDWGTSHCFPP-UHFFFAOYSA-N
分子式
C7H15Br
平均分子量
179.1 g/mol
単同位体質量
178.03571

名称と識別子

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

名称と別名

1-BROMOHEPTANE629-04-9Heptyl bromiden-Heptyl bromideHeptane, 1-bromo-bromoheptane1-bromo-heptaneMFCD00000273BR10731-Bromo heptaneNSC 7315EINECS 211-068-8
名称をさらに表示
1-ブロモヘプタンヘプチルブロミドn-ヘプチルブロミド臭化n-ヘプチルnヘプチルブロマイド1‐ブロモヘプタンn-ヘプチルブロマイド1-BromheptanHeptylbromidbromo heptane1-bromo-heptanHeptane broMideBromo-n-heptane
heptylbromide1bromoheptanebromo-heptanen-heptylbromide1-heptylbromidebromomethylhexane1 -bromoheptane1-Bromo-heptane; 1-Heptyl Bromide; Heptyl Bromide; NSC 7315; n-Heptyl Bromide

データベース識別子

CAS
629-04-9
PubChem CID
12369
DTXSID
DTXSID7022095
EC Number
211-068-8
Nikkaji
J523A

物性

構造計算による物性

XLogP
4.4
極性表面積
0 Ų
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
5
重原子数
8

実験および物理化学的性質

Vapor Pressure1.27 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 3 件

1031；1067；1030；1027.6；1027

1036；1036.2；1018；1042；1061；1040；1029

1262；1266；1252；1262；1268；1282；1256

物理化学的性質

融点
58 °C · −58 °C(lit.)
沸点
180 °C · 180 °C(lit.)
比重(密度)
1.14 g/mL · 1.14 g/mL at 25 °C(lit.)
蒸気密度
6.18 · 6.18 (vs air)
屈折率
20 · n20/D 1.4499(lit.)
闪点
141 °F · 141 °F

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 5 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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 2,440 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See 2-Bromopentane.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (11.3%)；Eye Irrit. 2A (11.3%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 12,000 mg/m3/2hr

法規制情報

Regulatory Information · 3 件

Chemical: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
rtecs
MI8100000
ridadr
UN 1993 3/PG 3
hs_code
29033036
risk_code
36/37-36/37/38-20

化学と産業

用途と製造

General Manufacturing InformationHeptane, 1-bromo-: ACTIVE

応用分野

使用1-bromoheptane is an important precursor material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

調製方法

純化方法Shake it with conc H2SO4, wash with water, dry it with K2CO3, and fractionally distil. [Beilstein 1 IV 391.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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