CAS 2788-86-5 4-Chlorostyrene oxide (HCID 197010)

基本情報

CAS: 2788-86-5
標準SMILES: Clc1ccc(C2CO2)cc1
InChIKey: IBWLXNDOMYKTAD-UHFFFAOYSA-N
分子式: C8H7ClO
平均分子量: 154.59 g/mol
単同位体質量: 154.0185425

名称と識別子

優先名称: 4-Chlorostyrene oxide
IUPAC: 2-(4-chlorophenyl)oxirane
現地名: 2-(4-クロロフェニル)オキシラン
英語名: 2-(4-CHLOROPHENYL)OXIRANE
分子式: C8H7ClO
分子量: 154.59

名称と別名

2788-86-54-Chlorostyrene oxidep-Chlorostyrene oxideOxirane, (4-chlorophenyl)-(p-Chlorophenyl)oxirane(4-Chlorophenyl)oxiraneBenzene, 1-chloro-4-(epoxyethyl)-4-Chloroepoxystyrene4-chlorophenyloxiraneBRN 00029291M51K7C6ACUNII-1M51K7C6AC

名称をさらに表示

2-(4-クロロフェニル)オキシラン2-(P-クロロフェニル)オキシランオキシラニル-4-クロロベンゼン1-クロロ-4-(オキシラニル)ベンゼン1-(オキシラン-2-イル)-4-クロロベンゼン(4-クロロフェニル)オキシランp-クロロスチレンオキシド1-クロロ-4-オキシラニルベンゼン1-クロロ-4-(エポキシエチル)ベンゼン(4-chlorophenyl)-oxiranTulobuterol Impurity 412-(P-CHLOROPHENYL)OXIRANE(^+)-4-Chlorostyrene oxide2-(4-Chlorophenyl)oxirane 96%

4-CHLOROSTYRENE EPOXIDE5-17-01-00578 (Beilstein Handbook Reference)OXIRANE, 2-(4-CHLOROPHENYL)-RefChem:98624Oxirane, (4-chlorophenyl)-(9CI)4-CHLOROSTYRENE OXIDE, (+-)-IBWLXNDOMYKTAD-UHFFFAOYSA-N2-(4-Chlorophenyl)oxirane

データベース識別子

CAS: 2788-86-5、97466-49-4
PubChem CID: 197010
DTXSID: DTXSID90950565
UNII: 1M51K7C6AC
EC Number: 627-880-4、875-893-0
Nikkaji: J2.166K、J475.254F

物性

構造計算による物性

XLogP: 2.2
極性表面積: 12.5 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 118

実験および物理化学的性質

Kovats Retention Index1767.3；1773.2

物理化学的性質

沸点: 230 ℃ · 230℃
比重(密度): 1.283 g/mL · 1.283 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5520(lit.)
闪点: 68 °F · 68 °F
貯蔵温度: -20 °C · Storage temp. -20°C
比重: 1.2169 · 1.2169
水溶解度: 水と混和しないか、または混合しにくい。
InChI: 1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKey: IBWLXNDOMYKTAD-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)C2CO2
CAS データベース: 2788 · 2788-86-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (91.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (91.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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 45 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.