（ｎブチルアミノ）アセトニトリル

(Butylamino)acetonitrile

HCID 76373CAS 3010-04-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCNCC#N
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
分子式: C6H12N2
平均分子量: 112.17 g/mol
単同位体質量: 112.10004839

名称と識別子

優先名称: (Butylamino)acetonitrile
IUPAC: 2-(butylamino)acetonitrile
現地名: （ｎブチルアミノ）アセトニトリル
英語名: (N-Butylamino)acetonitrile
分子式: C6H12N2
分子量: 112.17

名称と別名

(Butylamino)acetonitrileDTXSID90184186EINECS 221-132-7NSC 103146RefChem:405973DTXCID00106677221-132-7(n-Butylamino)acetonitrile2-(butylamino)acetonitrile3010-04-6N-n-ButylaminoacetonitrileAcetonitrile, (butylamino)-

名称をさらに表示

(N-ブチルアミノ)アセトニトリル（ｎブチルアミノ）アセトニトリル(ブチルアミノ)アセトニトリル2-(ブチルアミノ)アセトニトリルブチルアミノアセトニトリル(Butylamino)acetonitrile 97%Acetonitrile, 2-(butylamino)-(n-Butylamino)acetonitrile,98%(N-BUTYLAMINO)-ACETONITRILE 98%(n-ButylaMino)acetonitrile, 98% 5ML(N-BUTYLAMINO)ACETONITRILE ISO 9001：2015 REACH

butylamino-acetonitrileMFCD00001888NSC-103146NSC1031462-butylaminoacetonitrileJUJ5NAX6ABSCHEMBL442358(Butylamino)acetonitrile, 97%

データベース識別子

CAS: 3010-04-6
PubChem CID: 76373
DTXSID: DTXSID90184186
UNII: JUJ5NAX6AB
EC Number: 221-132-7
Nikkaji: J27.763K

物性

構造計算による物性

XLogP: 0.8
極性表面積: 35.8 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: 4
重原子数: 8
形式電荷: 0
複雑度: 79

物理化学的性質

沸点: 85 °C9 · 85 °C9 mm Hg(lit.)
比重(密度): 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.434(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 0 · Store at 0-8 °C
InChI: 1S/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
SMILES: CCCCNCC#N

化学的性質

化学的特性CLEAR YELLOW TO BROWNISH LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 39 reports by companies from 2 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. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

一般的な説明(Butylamino)acetonitrile may be used in preparation of amides, carbamates and sulphonamides.

サプライヤー11 社

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]

上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]