2-アミノ-4'-クロロビフェニル

2-Amino-4'-chlorobiphenyl

HCID 262261

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基本情報

CAS: 1204-44-0
標準SMILES: Nc1ccccc1-c1ccc(Cl)cc1
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
分子式: C12H10ClN
平均分子量: 203.67 g/mol
単同位体質量: 203.050177

名称と識別子

優先名称: 2-Amino-4'-chlorobiphenyl
IUPAC: 2-(4-chlorophenyl)aniline
現地名: 2-アミノ-4'-クロロビフェニル
英語名: 4'-Chloro-biphenyl-2-ylamine
分子式: C12H10ClN
分子量: 203.67

名称と別名

2-amino-4'-chlorobiphenylRefChem:463963601-706-71204-44-04'-Chloro-[1,1'-biphenyl]-2-amine4'-Chloro-biphenyl-2-ylamine2-(4-chlorophenyl)aniline4'-chlorobiphenyl-2-ylamineMFCD034246594'-chloro[1,1'-biphenyl]-2-amine4'-chlorobiphenyl-2-amineNSC95712

名称をさらに表示

2-アミノ-4'-クロロビフェニル4'-クロロ-[1,1'-ビフェニル]-2-アミン2-アミノ-4'-クロロビフェニル HYDROCHLORIDE2′-アミノ-4-クロロ-1,1′-ビフェニル2-(4-クロロフェニル)アニリン4′-クロロビフェニル-2-アミンAKOS BAR-0110Boscalid Impurity 1Boscalid Intermediate4 Chlorobiphenyl Amine4-chloro-2-aminobiphenyl4'-chloro-2-aminebiphenyl4'-chloro-biphenyl-2ylamie

MLS002695317NSC-95712SMR001561223SY1070384'-Chloro-2-biphenylamine4'-Chloro-Biphenyl-2-yl Amine4'-Chloro-[1,1'-biphenyl]-2-amine; 4'-Chloro-2-biphenylamine; 2-Amino-4'-chlorobiphenyl; 4'-Chloro-1,1'-biphenyl-2-amine; NSC 957124'-Chloro-bip

データベース識別子

CAS: 1204-44-0
PubChem CID: 262261
DTXSID: DTXSID40923380
ChEMBL: CHEMBL1868314
EC Number: 601-706-7
Nikkaji: J1.270.739H

物性

構造計算による物性

XLogP: 3.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 45 to · 45.0 to 49.0 °C
沸点: 334.6 · 334.6±17.0 °C(Predicted)
比重(密度): 1.205 · 1.205±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 3.26 · 3.26±0.10(Predicted)
色: オフホワイトからペールベージュ
InChI: InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
InChIKey: JPBWZIPCMDZOPM-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)=CC=CC=C1N
CAS データベース: 1204 · 1204-44-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 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. 4 (50%)

安全データ

hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

応用分野 · 1 件

使用4''-Chlorobiphenyl-2-ylamine is used as a reagent in the synthesis of Boscalid (B675850); a fungicide belonging to the class of carboxamides. Boscalid acts by inhibiting spore germination and germ tube elongation, and is also effective on all other stages of fungal development. Boscalid is used in the agriculture to protect crops from gray mold, powdery mildew, and other fungus.