Basic information
- CAS
1871-96-1- Standard SMILES
N#CCCCCCCCCC#N- InChIKey
DFJYZCUIKPGCSG-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- Decanedinitrile
- IUPAC
- decanedinitrile
- English name
- Sebaconitrile
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
SebaconitrileDecanedinitrileOctane-1,8-dicarbonitrileEINECS 217-494-06S84VV9MLGNSC 39461BRN 1750739Sebacic acid dinitrileAI3-08103NSC-39461UNII-6S84VV9MLGDTXSID8062028
Show more names
SebacoitrileecanedinitrileSebacic nitrileSebaconitrile >SEBACONITRILE 98+%SEBACONITRILE 95+%SEBACONITRILE 98%
4-02-00-02089 (Beilstein Handbook Reference)RefChem:131182DTXCID5035905DFJYZCUIKPGCSG-UHFFFAOYSA-N1871-96-11,8-DicyanooctaneOctamethylene dicyanideOktamethylendikyanid
Database identifiers
- CAS
1871-96-1- PubChem CID
- 74639
- DTXSID
DTXSID8062028- UNII
- 6S84VV9MLG
- EC Number
- 217-494-0
- Nikkaji
- J48.393A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP1.75
Physicochemical properties
- Melting point
- 7 · 7-8 °C(lit.)
- Boiling point
- 199 · 199-200 °C(lit.)
- Density
- 0.915 g/mL · 0.915 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.447
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Water Solubility
- Insoluble in water
- form
- Liquid
- color
- Clear colorless to light yellow
- BRN
- 1750739 · 1750739
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- InChI
- 1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2
- InChIKey
- DFJYZCUIKPGCSG-UHFFFAOYSA-N
- SMILES
- N#CCCCCCCCCC#N
- CAS DataBase Reference
- 1871 · 1871-96-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 S84VV9MLG · 6S84VV9MLG
- NIST Chemistry Reference
- Decanedinitrile(1871-96-1)
- EPA Substance Registry System
- Decanedinitrile (1871-96-1)
- UNSPSC Code
- 12352117 · 12352117
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- T
- Risk Statements
- 25 · 25-36/37/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3276 · UN 3276 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1500000 · VS1500000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29269095 · 29269095
- Storage Class
- 6.1 C · 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDecanedinitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (90.9%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VS1500000
- ridadr
- UN 3276 6.1/PG 3
- hs_code
- 29269095
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanedinitrile: INACTIVE
Applications
UsesSebaconitrile is an intermediate in the synthesis of pharmaceuticals, dyes and other organic materials, and is also used in the synthesis of nylon-1010.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Compound notes
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