CAS 874285-03-7 (3-Bromo-2-fluorophenyl)acetonitrile (HCID 26985257)

基本情報

CAS: 874285-03-7
標準SMILES: N#CCc1cccc(Br)c1F
InChIKey: JKRBRQNAVKGEHZ-UHFFFAOYSA-N
分子式: C8H5BrFN
平均分子量: 214.03 g/mol
単同位体質量: 212.95893948

名称と識別子

優先名称: (3-Bromo-2-fluorophenyl)acetonitrile
IUPAC: 2-(3-bromo-2-fluorophenyl)acetonitrile
現地名: (3-ブロモ-2-フルオロフェニル)アセトニトリル
英語名: 3-Bromo-2-fluorophenylacetonitrile
分子式: C8H5BrFN
分子量: 214.03

名称と別名

874285-03-7(3-Bromo-2-fluorophenyl)acetonitrileDTXSID40650422RefChem:207535DTXCID00601172679-060-03-Bromo-2-fluorophenylacetonitrile2-(3-bromo-2-fluorophenyl)acetonitrileMFCD098646622-(3-bromo-2-fluoro-phenyl)acetonitrileSCHEMBL3335883-Bromo-2-fluorobenzeneacetonitrile

名称をさらに表示

(3-ブロモ-2-フルオロフェニル)アセトニトリルBenzeneacetonitrile, 3-bromo-2-fluoro-3-Bromo-2-fluorophenylacetonitrileSPHATE DISODIUM SALT MONOHYDRATE

SBB094884AKOS005255323CS-W013171PS-79662-(3-bromo-2-fluorophenyl)ethanenitrileSY317244(3-Bromo-2-fluorophenyl)acetonitrile, 95%EN300-320885

データベース識別子

CAS: 874285-03-7
PubChem CID: 26985257
DTXSID: DTXSID40650422
EC Number: 679-060-0

物性

構造計算による物性

XLogP: 2.4
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 174

物理化学的性質

沸点: 92 ℃/0.3mm · 92℃/0.3mm
比重(密度): 1.589 g/mL · 1.589 g/mL at 25 °C
屈折率: 20 · n20/D1.551
闪点: 110 ℃ · >110℃
貯蔵温度: Sealed in dry,Room Temperature
外見: fused solid
色: White waxy
InChI: InChI=1S/C8H5BrFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
InChIKey: JKRBRQNAVKGEHZ-UHFFFAOYSA-N
SMILES: C1(CC#N)=CC=CC(Br)=C1F

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (88.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 3 (88.4%)

安全データ

wgk: 3
ridadr: UN 3276 6.1 / PGIII
hs_code: 2926907090
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

サプライヤー54 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

化合物ノート

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