기본 정보
- 표준 SMILES
CN(C)CC#N- InChIKey
PLXBWEPPAAQASG-UHFFFAOYSA-N- 분자식
- C4H8N2
- 평균 분자량
- 84.12 g/mol
- 단동위원소 질량
- 84.06874826
개요
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.
이름 및 식별자
- 우선 이름
- Dimethylaminoacetonitrile
- IUPAC
- 2-(dimethylamino)acetonitrile
- 현지명
- 디메틸아미노아세토니트릴
- 영어명
- Dimethylaminoacetonitrile
- 분자식
- C4H8N2
- 분자량
- 84.12
이름 및 동의어
Dimethylaminoacetonitrile926-64-7(Dimethylamino)acetonitrile2-(dimethylamino)acetonitrileAcetonitrile, (dimethylamino)-N-(Cyanomethyl)dimethylamine2-DimethylaminoacetonitrileGlycinonitrile, N,N-dimethyl-N,N-DimethylglycinonitrileEINECS 213-140-4NSC 148364BRN 1735677
이름 더 보기
디메틸아미노아세토니트릴2-디메틸아미노아세토니트릴다이메틸아미노아세토나이트릴(CH3)2NCH2CNDiMethylaMinoacetoniDIMETHYLCYANOCACETAMIDEDIMETHYLAMINOACETONITRITEn,n-dimethyl-glycinonitril(dimethylamino)-acetonitril
WU34F15N7CAI3-22163NSC-148364DTXSID0073241PLXBWEPPAAQASG-UHFFFAOYSA-RefChem:588494DIMETHYLCYANOMETHYLAMINEDTXCID9048805
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 27 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 66.9
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- 135 · 135-138 °C
- 끓는 점
- 137 · 137-138 °C(lit.)
- 밀도
- 0.863 g/mL · 0.863 g/mL at 25 °C(lit.)
- 증기압
- 760 mm · 760 mm Hg ( 137 °C)
- 굴절률
- 20 · n20/D 1.410(lit.)
- 인화점
- 98 °F · 98 °F
- 저장 조건
- Flammables area
- 산도 계수 (pKa)
- 5.24 · 5.24±0.28(Predicted)
- 물리적 상태
- liquid
- 수용성
- 녹는
- BRN
- 1735677 · 1735677
- InChI
- 1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
- InChIKey
- PLXBWEPPAAQASG-UHFFFAOYSA-N
- SMILES
- CN(C)CC#N
- NIST
- Acetonitrile, (dimethylamino)-(926-64-7)
- EPA
- Dimethylaminoacetonitrile (926-64-7)
화학적 성질
Clear colourless liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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
안전 및 보호
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.
안전 데이터
- wgk
- 3
- rtecs
- AL9450000
- ridadr
- UN 2378
- HS 번호
- 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
- 포장분류
- II
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 OralFlam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
일반 설명A 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.
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