Basic information
- CAS
32703-82-5- Standard SMILES
CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1- InChIKey
MKILROQBJOOZKC-UHFFFAOYSA-N- Molecular formula
- C16H14N2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.11569846
Overview
6-tert-butylnaphthalene-2,3-dicarbonitrile is a member of naphthalenes.
Names & identifiers
- Preferred name
- 6-tert-Butyl-2,3-naphthalenedicarbonitrile
- IUPAC
- 6-tert-butylnaphthalene-2,3-dicarbonitrile
- English name
- 6-tert-Butyl-2,3-naphthalenedicarbonitrile
- Molecular formula
- C16H14N2
- Molecular weight
- 234.3
Names & synonyms
32703-82-56-tert-Butyl-2,3-naphthalenedicarbonitrileDTXSID50346521RefChem:544344DTXCID40297593624-291-46-(tert-butyl)naphthalene-2,3-dicarbonitrileBRD98766-tert-butylnaphthalene-2,3-dicarbonitrileMFCD00209558BRD 98766-t-butyl-2,3-dicyanonaphthalene
Show more names
6-tert-butyl-2,3-naphthalonitrileLABOTEST-BB LT00159322BRD9876, 10 mM in DMSO6-tert-Butyl-2,3-naphthalodinitrile6-tert-Butyl-2,3-dicyanonaphthalene2,3-Dicyano-6-tert-butylnaphthalene6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile2,3-NAPHTHALENEDICARBONITRILE, 6-(1,1-DIMETHYLETHYL)-
HMS1522G08BRD-9876DS-8564IDI1_0310746-(t-Butyl)naphthalene-2,3-dicarbonitrileHY-110208O11512AMY38493
Database identifiers
- CAS
32703-82-5
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 185 · 185-189 °C(lit.)
- Boiling point
- 429.7 · 429.7±33.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Beige
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
- InChIKey
- MKILROQBJOOZKC-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=C(C(C)(C)C)C=C2)=CC(C#N)=C1C#N
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
UsesSynthetic Polymer MALDI Matrix Compounds
Applications
Uses6-tert-Butyl-2,3-naphthalenedicarbonitrile is a stain with bioloigcal research applications. Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers42 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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