Basic information
- CAS
629-40-3- Standard SMILES
N#CCCCCCCC#N- InChIKey
BTNXBLUGMAMSSH-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- Octanedinitrile
- IUPAC
- octanedinitrile
- English name
- 1,8-Octanedinitrile
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
Octanedinitrile1,6-DicyanohexaneSUBERONITRILE629-40-3Suberic acid dinitrileJNT1LXA02UNSC-51242DTXSID7022097D-7800-8RefChem:889391DTXCID702097211-089-2
Show more names
subericaciddinitrilensc51242Xin ErjingSuberonitrilOctandinitrilDICYANOHEXANE
KorksaeuredinitrilKorksaeuredinitril [German]UNII-JNT1LXA02UEINECS 211-089-2NSC 51242BRN 1744365Hexamethylene dicyanideAI3-33237
Database identifiers
- CAS
629-40-3、929-57-7- PubChem CID
- 12385
- DTXSID
DTXSID7022097- UNII
- JNT1LXA02U
- EC Number
- 211-089-2
- Nikkaji
- J94.869A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP0.59
Physicochemical properties
- Melting point
- -3.5 °C · -3.5 °C
- Boiling point
- 185 °C15 · 185 °C15 mm Hg(lit.)
- Density
- 0.954 g/mL · 0.954 g/mL at 25 °C(lit.)
- vapor pressure
- 0.053 Pa · 0.053Pa at 20℃
- refractive index
- 20 · n20/D 1.444(lit.)
- Flash point
- 175 °C · 175 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 7 g/l · 7g/l insoluble
- form
- Liquid
- color
- Clear yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh sweet waxy floral citrus mandarin
- Odor Type
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 206 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Suberonitrile (EC: 211-089-2)
Octanedioic acid dinitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- WM2131000
- ridadr
- UN 3276 6.1/PG 2
- hs_code
- 29269095
- Toxicity
- LD50 orl-mus: 307 mg/kg ARTODN 57,88,85
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37/39-45-23
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctanedinitrile: ACTIVE
Applications
Uses1,6-Dicyanohexane can be used as a reagent to synthesize heterocylic organic molecules.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers94 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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