Basic information
- CAS
1190-92-7- Standard SMILES
CN(C)C=C[N+](=O)[O-]- InChIKey
JKOVQYWMFZTKMX-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Names & identifiers
- Preferred name
- Ethenamine, N,N-dimethyl-2-nitro-
- IUPAC
- N,N-dimethyl-2-nitroethenamine
- English name
- 1-Dimethylamino-2-nitroethylene
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
Ethenamine, N,N-dimethyl-2-nitro-N,N-dimethyl-2-nitroethen-1-amineN,N-DIMETHYL-2-NITRO-ETHENAMINEdimethyl[(1E)-2-nitroethenyl]aminedimethylamino-2-nitroethyleneorb3143932SCHEMBL2539103N,N-dimethyl-2-nitroetheneamineJKOVQYWMFZTKMX-UHFFFAOYSA-NXH1349AKOS025243414AB02125
Show more names
(E)-N,N-dimethyl-2-nitroethen-1-amineamino-2-nitroethyLSPECS AN-308/25123016DiMethylaMino nitroethyleneN-(2-Nitrovinyl)dimethylamineN,N-Dimethyl-2-nitrovinylamineN,N-Dimethyl-2-nitroethenamine1-(Dimethylamino)-2-nitroethene1-Dimethylamino-2-nitroethylene1-Nitro-2-(dimethylamino)ethylene
DB-008056F870480
Database identifiers
- CAS
1190-92-7- PubChem CID
- 518458
- DTXSID
DTXSID101305769
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 103 · 103-107 °C(lit.)
- Boiling point
- 161 ℃ · 161℃
- Density
- 1.073 · 1.073
- Flash point
- 51 ℃ · 51℃
- storage temp.
- 2 · 2-8°C
- solubility
- sol alcohols, ethers, chloroform, acetone; slightly sol n-hexane
- form
- crystalline solid
- pka
- 2.71 · 2.71±0.70(Predicted)
- color
- Orange
- BRN
- 1903136 · 1903136
- InChI
- InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3
- InChIKey
- JKOVQYWMFZTKMX-ONEGZZNKSA-N
- SMILES
- C(N(C)C)=C[N+]([O-])=O
- CAS DataBase Reference
- 1190 · 1190-92-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 319 · H319-H302-H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P280a-P304+P340-P405-P501a
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-43
- Safety Statements
- 26 · 26-36/37/39-45
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, KEEP COLD
- HS Code
- 29211990 · 29211990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29211990
- risk_code
- 22-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H319-H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
Uses1-Dimethylamino-2-nitroethylene is widely used in organic reactions.
Uses1-(Dimethylamino)-2-nitroethylene undergoes addition-elimination reaction with indoles to form the corresponding 3-(2-nitrovinyl)indoles.
Preparation methods
Preparation1-Dimethylamino-2-nitroethylene can be prepared by reaction of N,N-Dimethylformamide Diethyl Acetal (85% yield) or N,N-Dimethylformamide-Dimethyl Sulfate complex (60%) with Nitromethane; condensation of Triethyl Orthoformate with MeNO2 in the presence of DMF (52%), or addition-elimination reaction of 1-Nitro-2-phenylthioethylene with Me2NH (74%).
Suppliers91 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
四川星优天下医药科技有限公司18328380615 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
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成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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Clearsynth Labs Limited+91-22-26355700 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
都创（上海）医药科技有限公司021-58099077 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
成都精致化诚生物科技有限公司028-028-37664989 15900794981 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
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上海特伯化学科技有限公司021-58170097 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
14 records
Compound notes
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