2-アミノ-6-クロロベンゾニトリル

2-Amino-6-chlorobenzonitrile

HCID 81056

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6575-11-7
標準SMILES: N#Cc1c(N)cccc1Cl
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
分子式: C7H5ClN2
平均分子量: 152.58 g/mol
単同位体質量: 152.0141259

名称と識別子

優先名称: 2-Amino-6-chlorobenzonitrile
IUPAC: 2-amino-6-chlorobenzonitrile
現地名: 2-アミノ-6-クロロベンゾニトリル
英語名: 2-Amino-6-chlorobenzonitrile
分子式: C7H5ClN2
分子量: 152.58

名称と別名

2-Amino-6-chlorobenzonitrile6575-11-7NSC 129936DTXSID60215956EINECS 229-501-4RefChem:464745DTXCID90138447229-501-4Benzonitrile, 2-amino-6-chloro-Benzonitrile,2-amino-6-chloro-6-Chloroanthranilonitrile3-Chloro-2-cyanoaniline

名称をさらに表示

2-アミノ-6-クロロベンゾニトリル２アミノ６クロロベンゾニトリル0/7/752-AMino-6-chlorobenzonitrile 96%6-Chloroanthranilonitrile, 3-Chloro-2-cyanoaniline

MFCD000155462-amino-6-chloro-benzonitrile6-Amino-2-chlorobenzonitrile2-amino-6-chloro benzonitrileNSC-129936AM808207SY011984EN300-24404

データベース識別子

CAS: 6575-11-7
PubChem CID: 81056
DTXSID: DTXSID60215956
UNII: YS5D5JX4JG
EC Number: 229-501-4
Nikkaji: J225.198A

物性

構造計算による物性

XLogP: 2
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 134 · 134-136 °C(lit.)
沸点: 327 · 327.0±27.0 °C(Predicted)
比重(密度): 1.33 · 1.33±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）
外見: 個体
酸解離定数(Pka): 0.76 · 0.76±0.10(Predicted)
色: 薄黄色～黄色
BRN: 2717090 · 2717090
InChI: 1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
SMILES: Nc1cccc(Cl)c1C#N
CAS データベース: 6575 · 6575-11-7(CAS DataBase Reference)
NISTの化学物質情報: 6 · 6-Chloroanthranilonitrile(6575-11-7)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (12.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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

Hazard Classes and CategoriesAcute Tox. 3 (12.8%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (12.8%)；Skin Sens. 1 (85.1%)；Eye Irrit. 2A (12.8%)；Acute Tox. 4 (10.6%)；STOT SE 3 (12.8%)