Basic information
- CAS
67886-70-8- Standard SMILES
COc1ccc2cc(C#N)ccc2c1- InChIKey
SWEFYGCKCMJSPD-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 6-Methoxynaphthalene-2-carbonitrile
- IUPAC
- 6-methoxynaphthalene-2-carbonitrile
- English name
- 2-Cyano-6-methoxynaphthalene
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
6-methoxynaphthalene-2-carbonitrileRefChem:543719623-537-86-Methoxy-2-naphthonitrile67886-70-82-Cyano-6-methoxynaphthaleneNaproxen Nitrile Impurity6-methoxy-naphthalene-2-carbonitrileMFCD000096926-Methoxy-2-cyanonaphthaleneNSC4087782-Naphthalenecarbonitrile, 6-methoxy-
Show more names
6-Methoxy-2-naphthonitrile 98%6-Methoxy-2-naphthalenecarbonitrile
2-Cyan-6-methoxy-naphthalinSCHEMBL9069362-Naphthonitrile, 6-methoxy-SCHEMBL31499214DTXSID103251306-Methoxy-2-naphthonitrile, 98%SCA88670AKOS009158952
Database identifiers
- CAS
67886-70-8- PubChem CID
- 349173
- DTXSID
DTXSID10325130- EC Number
- 623-537-8
- Nikkaji
- J150.042B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 106 · 106-107 °C(lit.)
- Boiling point
- 205 · 205-208 °C14 mm Hg(lit.)
- Density
- 1.1261 · 1.1261 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- form
- Crystalline Powder
- color
- White to yellow
- InChI
- 1S/C12H9NO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,1H3
- InChIKey
- SWEFYGCKCMJSPD-UHFFFAOYSA-N
- SMILES
- COc1ccc2cc(ccc2c1)C#N
- CAS DataBase Reference
- 67886 · 67886-70-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 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
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T
- safety_code
- 26-37/39
- hazard_class
- TOXIC
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-Methoxy-2-naphthonitrile (2-cyano-6-methoxynaphthalene) was used in the synthesis of 2-cyano-1-(1,3-diarylpropyl)-6-methoxynaphthalenes.
Upstream & downstream products
Downstream products
Suppliers27 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
4 records
Reactants or products are incomplete; the equation cannot be generated
Compound notes
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