Basic information
- CAS
19179-36-3- Standard SMILES
N#Cc1cc(O)cc(O)c1- InChIKey
ABHOEQJNEOMTEK-UHFFFAOYSA-N- Molecular formula
- C7H5NO2
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.0320284
Names & identifiers
- Preferred name
- 3,5-Dihydroxybenzonitrile
- IUPAC
- 3,5-dihydroxybenzonitrile
- English name
- 3,5-DIHYDROXYBENZONITRILE
- Molecular formula
- C7H5NO2
- Molecular weight
- 135.12
Names & synonyms
3,5-Dihydroxybenzonitrile19179-36-3Benzonitrile, 3,5-dihydroxy-EINECS 242-859-6DTXSID00172711RefChem:91545DTXCID5095202242-859-6ABHOEQJNEOMTEK-UHFFFAOYSA-N5-cyanoresorcinolMFCD000164533,5-dihydroxy-benzonitrile
Show more names
AKOS BB-91543,5-DIHYDROXYBENZONIalpha-Resorcylonitrile3,5-Dihydroxybenzonitrile 98%3,5-dihydroxybenzenecarbonitrile2-hydroxy-6-methyl-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1H-pyridin-4-one
SCHEMBL2141633,5-DIHYDROXY BENZONITRILE3,5-Dihydroxybenzonitrile, AldrichCPRAKOS004121467GS-6005SB34723a-Resorcylonia-Resorcylonitrile
Database identifiers
- CAS
19179-36-3- PubChem CID
- 87952
- DTXSID
DTXSID00172711- UNII
- 4MA4PW9ML5
- EC Number
- 242-859-6
- Nikkaji
- J224.872G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 190 · 190-193°C
- Boiling point
- 248.79 °C · 248.79°C (rough estimate)
- Density
- 1.3124 · 1.3124 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Water Solubility
- Soluble in water.
- BRN
- 6322491 · 6322491
- InChI
- InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H
- InChIKey
- ABHOEQJNEOMTEK-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(O)=CC(O)=C1
- CAS DataBase Reference
- 19179 · 19179-36-3(CAS DataBase Reference)
- FDA UNII
- 4 MA4PW9ML5 · 4MA4PW9ML5
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
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, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 20/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H315-H319-H331-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,5-Dihydroxybenzonitrile is used in the preparation of 3-hydroxy-5-methoxybenzonitrile using potassium carbonate as a reagent.
Upstream & downstream products
Downstream products
Suppliers60 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
10 records
Compound notes
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