Basic information
- CAS
538-08-9- Standard SMILES
C=CCN(C#N)CC=C- InChIKey
ZOSAYFDMPYAZTB-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439832
Names & identifiers
- Preferred name
- Cyanamide, diallyl
- IUPAC
- bis(prop-2-enyl)cyanamide
- English name
- Diallyl cyanamide
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
Diallylcyanamide538-08-9Cyanamide, di-2-propenyl-Di-2-propenylcyanamideCyanamide, diallyl-N-CyanodiallylamineDiallylkyanamidCYANAMIDE, DIALLYLN,N-diallylcyanamideDiallylkyanamid [Czech]HSDB 2768NSC 3513
Show more names
diallyl-cyanamidCyanodiallylaminecyanamide,diallylDiallyl cyanamidedi-2-propenyl-cyanamid
EINECS 208-683-90Y2M1X8LXABRN 1747507AI3-17789N,N-Di-2-propen-1-yl-cyanamideNSC-3513DIALLYLCYANAMIDE [MI]DTXSID5060221
Database identifiers
- CAS
538-08-9- PubChem CID
- 10849
- DTXSID
DTXSID5060221- UNII
- 0Y2M1X8LXA
- EC Number
- 208-683-9
- Nikkaji
- J6.368A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Cyanamides
SpringerMaterials PropertiesBoiling point
Density0.9021
Color/FormCOLORLESS, MOBILE LIQUID WHEN PURE
Solubility
INSOL IN WATER
SOL IN USUAL ORGANIC SOLVENTS
SOL IN ALCOHOL, ETHER, ACETONE, BENZENE
Boiling Point140-145 °C @ 90 MM HG
DecompositionDANGEROUS; WHEN HEATED TO DECOMPOSITION , IT EMITS HIGHLY TOXIC FUMES OF CYANIDES.
Melting PointLESS THAN -70 °C
Vapor Density4.1 (AIR= 1)
Physical DescriptionColorless mobile liquid; [HSDB]
Physicochemical properties
- Melting point
- -70 °C · <-70 °C
- Boiling point
- 90 · bp90 140-145°; bp57 128-133°; bp18 105-110°
- Density
- 0.9532 · 0.9532 (rough estimate)
- refractive index
- 1.623 · 1.6230 (estimate)
- pka
- -6.76 · -6.76±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 Y2M1X8LXA · 0Y2M1X8LXA
- EPA Substance Registry System
- Diallylcyanamide (538-08-9)
- Risk Statements
- 11 · 11-23/24/25-34
- Safety Statements
- 9 · 9-16-26-36/37/39
- RIDADR
- 3286 · 3286
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Hazardous Substances Data
- 538 · 538-08-9(Hazardous Substances Data)
Safety & regulation
Hazard information
Hazards Summary
Reportedly more toxic than cyanamide; [SAX] Intraperitoneal LD50 (mouse) = 125 mg/kg; Causes ataxia and seizures at lethal doses; [RTECS] May decompose on exposure to moisture; An irritant; May be harmful by ingestion, inhalation, or skin absorption; [Aldrich MSDS] See Cyanamide and Dimethyl cyanamide.
Toxic Combustion ProductsYIELDS CYANIDE FUMES ON HEATING.
Hazardous Reactivities and IncompatibilitiesDANGEROUS; ON CONTACT WITH ACID OR ACID FUMES, IT EMITS HIGHLY TOXIC FUMES OF CYANIDES.
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity ExcerptsIT IS SAID TO BE MORE TOXIC THAN CYANAMIDE.
Safety data
- tsca
- TSCA listed
- ridadr
- 3286
- risk_code
- 11-23/24/25-34
- safety_code
- 9-16-26-36/37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazardous Substances Data
- 538-08-9(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as organic intermediate in the synthesis of polymers; [Hawley]
ORGANIC INTERMEDIATE; POLYMERS
Methods of ManufacturingPREPARED BY THE ACTION OF ALLYL BROMIDE ON DISODIUM CYANAMIDE.
General Manufacturing InformationCyanamide, N,N-di-2-propen-1-yl-: INACTIVE
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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