基本情報
- 標準SMILES
CN(C)CC#N- InChIKey
PLXBWEPPAAQASG-UHFFFAOYSA-N- 分子式
- C4H8N2
- 平均分子量
- 84.12 g/mol
- 単同位体質量
- 84.06874826
概要
2-dimethylaminoacetonitrile appears as a liquid with a fishlike odor. May be toxic by inhalation and skin absorption. Slightly soluble in water. Used to make other chemicals.
名称と識別子
- 優先名称
- Dimethylaminoacetonitrile
- IUPAC
- 2-(dimethylamino)acetonitrile
- 現地名
- (ジメチルアミノ)アセトニトリル
- 英語名
- Dimethylaminoacetonitrile
- 分子式
- C4H8N2
- 分子量
- 84.12
名称と別名
Dimethylaminoacetonitrile926-64-7(Dimethylamino)acetonitrile2-(dimethylamino)acetonitrileAcetonitrile, (dimethylamino)-N-(Cyanomethyl)dimethylamine2-DimethylaminoacetonitrileGlycinonitrile, N,N-dimethyl-N,N-DimethylglycinonitrileEINECS 213-140-4NSC 148364BRN 1735677
名称をさらに表示
(ジメチルアミノ)アセトニトリルジメチルアミノアセトニトリル2-(ジメチルアミノ)アセトニトリルN，N－ジメチルアミノアセトニトリルN，Nジメチルアミノアセトニトリル(CH3)2NCH2CNDiMethylaMinoacetoniDIMETHYLCYANOCACETAMIDEDIMETHYLAMINOACETONITRITEn,n-dimethyl-glycinonitril(dimethylamino)-acetonitril
WU34F15N7CAI3-22163NSC-148364DTXSID0073241PLXBWEPPAAQASG-UHFFFAOYSA-RefChem:588494DIMETHYLCYANOMETHYLAMINEDTXCID9048805
データベース識別子
- CAS
3976-11-2、926-64-7- PubChem CID
- 61237
- DTXSID
DTXSID0073241- ChEMBL
CHEMBL2448941- ChEBI
CHEBI:88381- UNII
- WU34F15N7C
- EC Number
- 213-140-4、223-609-5
- Nikkaji
- J27.772J
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 27 Ų
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 66.9
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesOptical coefficient
Physical Description2-dimethylaminoacetonitrile appears as a liquid with a fishlike odor. May be toxic by inhalation and skin absorption. Slightly soluble in water. Used to make other chemicals.
Dissociation Constants4.2
物理化学的性質
- 融点
- 135 · 135-138 °C
- 沸点
- 137 · 137-138 °C(lit.)
- 比重(密度)
- 0.863 g/mL · 0.863 g/mL at 25 °C(lit.)
- 蒸気圧
- 760 mm · 760 mm Hg ( 137 °C)
- 屈折率
- 20 · n20/D 1.410(lit.)
- 闪点
- 98 °F · 98 °F
- 貯蔵温度
- Flammables area
- 酸解離定数(Pka)
- 5.24 · 5.24±0.28(Predicted)
- 外見
- liquid
- 水溶解度
- 溶ける
- BRN
- 1735677 · 1735677
- InChI
- 1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
- InChIKey
- PLXBWEPPAAQASG-UHFFFAOYSA-N
- SMILES
- CN(C)CC#N
- CAS データベース
- 926 · 926-64-7(CAS DataBase Reference)
- NISTの化学物質情報
- Acetonitrile, (dimethylamino)-(926-64-7)
- EPAの化学物質情報
- Dimethylaminoacetonitrile (926-64-7)
化学的性質
化学的特性Clear colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 100 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Poison
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
DOT ID and Guide2378 131
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
2-DIMETHYLAMINOACETONITRILE has an amine and nitrile group. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
DOT Hazard Classification
2-Dimethylaminoacetonitrile
UN2378
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (98%)
Flammable agents - 3rd degree, Reactive agents - 1st degree
安全と保護具
Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Isolation and Evacuation
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
安全データ
- wgk
- 3
- rtecs
- AL9450000
- ridadr
- UN 2378
- hs_code
- 29269095
- risk_code
- 10-25-27-36-23/25
- hazard_code
- T+
- safety_code
- 16-26-28-36/37-45-38-36/37/39-28A
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 OralFlam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
一般的な説明A liquid with a fishlike odor. Flash point 75°F. May be toxic by inhalation and skin absorption. Slightly soluble in water. Used to make other chemicals.
上流・下流製品情報
下流製品
関連反応
3 件
関連ノート
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