Basic information
- CAS
211172-52-0- Standard SMILES
N#Cc1cccc(O)c1N- InChIKey
JJWWVLVYSOCRPL-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801281
Names & identifiers
- Preferred name
- 2-Amino-3-hydroxybenzonitrile
- IUPAC
- 2-amino-3-hydroxybenzonitrile
- English name
- Benzonitrile, 2-amino-3-hydroxy-
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
2-amino-3-hydroxybenzonitrile211172-52-0DTXSID60579287RefChem:255376DTXCID805300522-Amino-3-hydroxy-benzonitrileBENZONITRILE, 2-AMINO-3-HYDROXY-MFCD11616259SCHEMBL944242JJWWVLVYSOCRPL-UHFFFAOYSA-NAKOS005206762DS-6143
Show more names
MB09969SY101640C74010EN300-238946F244064F2147-0182
Database identifiers
- CAS
211172-52-0- PubChem CID
- 15906336
- DTXSID
DTXSID60579287- Nikkaji
- J2.319.907F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 301.5 · 301.5±37.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.37 · 8.37±0.10(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RIDADR
- 3439 · UN3439
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN3439
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
6 records
Compound notes
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