Basic information
- CAS
16849-88-0- Standard SMILES
CN(C)C=C(C#N)C#N- InChIKey
LBUDLOYYNHQKQI-UHFFFAOYSA-N- Molecular formula
- C6H7N3
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.06399724
Names & identifiers
- Preferred name
- ((Dimethylamino)methylene)propanedinitrile
- IUPAC
- 2-(dimethylaminomethylidene)propanedinitrile
- English name
- (Dimethylaminomethylene)malononitrile
- Molecular formula
- C6H7N3
- Molecular weight
- 121.14
Names & synonyms
16849-88-0MALONONITRILE, ((DIMETHYLAMINO)METHYLENE)-[(dimethylamino)methylene]malononitrile((Dimethylamino)methylene)malonitrilePropanedinitrile, 2-[(dimethylamino)methylene]-alpha-Cyano-beta-dimethylaminoacrylonitrileEINECS 240-873-7Propanedinitrile, ((dimethylamino)methylene)-Propanedinitrile, [(dimethylamino)methylene]-((Dimethylamino)methylene)malononitrileNSC 168421BRN 2038990
Show more names
3-DIMETHYLAMINO-2-CYANOACRYLONITRILE1-(dimethylamine)-2,2-dicyanoethylene(Dimethylaminomethylene)malononitrile2-DiMethylaMinoMethylene-Malononitrile2-CYANO-3-(DIMETHYLAMINO)ACRYLONITRILE((dimethylamino)methylene)-malononitril2-[(DIMETHYLAMINO)METHYLIDENE]MALONONITRILE
9VE2L03HB0NSC-168421((Dimethylamino)methylene)propanedinitrileDTXSID401685722-((DIMETHYLAMINO)METHYLENE)PROPANEDINITRILEPROPANEDINITRILE, 2-((DIMETHYLAMINO)METHYLENE)-[(Dimethylamino)methylene]propanedinitrileRefChem:390381
Database identifiers
- CAS
16849-88-0- PubChem CID
- 28111
- DTXSID
DTXSID40168572- UNII
- 9VE2L03HB0
- EC Number
- 240-873-7
- Nikkaji
- J41.622C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 84 · 84-85 °C(lit.)
- Boiling point
- 215.85 °C · 215.85°C (rough estimate)
- Density
- 1.0556 · 1.0556 (rough estimate)
- refractive index
- 1.469 · 1.4690 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- -0.31 · -0.31±0.70(Predicted)
- color
- Beige
- CAS DataBase Reference
- 16849 · 16849-88-0(CAS DataBase Reference)
- FDA UNII
- 9 VE2L03HB0 · 9VE2L03HB0
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P310
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- RIDADR
- 3276 · UN3276
- WGK Germany
- 3 · 3
- RTECS
- 3746000 · OO3746000
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 29269095 · 29269095
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- OO3746000
- ridadr
- UN3276
- hs_code
- 29269095
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36
- hazard_class
- 6.1
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P280-P301+P310
Chemistry & industry
Applications
Uses[(Dimethylamino)methylene]malononitrile (cas# 16849-88-0) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers32 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
都创（上海）医药科技有限公司021-58099077 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
山东优阜药业科技有限公司+86-0536-8226195 +86-13953676784
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
3 records
Compound notes
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