2-Amino-2-phenylacetonitrile hydrochloride
Basic information
- CAS
53641-60-4- Standard SMILES
N#CC([NH3+])c1ccccc1.[Cl-]- InChIKey
OGSYCVCLXAFDNE-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.045426
Names & identifiers
- Preferred name
- 2-Amino-2-phenylacetonitrile hydrochloride
- IUPAC
- [cyano(phenyl)methyl]azanium chloride
- English name
- 2-Phenylglycinonitrile hydrochloride
- Molecular formula
- C8H9ClN2
- Molecular weight
- 168.62
Names & synonyms
RefChem:463536624-363-52-amino-2-phenylacetonitrile hydrochloride(alpha-Cyanobenzyl)ammonium chloridealpha-Aminobenzyl cyanide hydrochlorideEINECS 258-680-1ACETONITRILE, AMINOPHENYL-, HYDROCHLORIDE[cyano(phenyl)methyl]azanium;chlorideNS00089485TIMTEC-BB SBB003872(α-Cyanbenzyl)ammoniumchlorid2-Amino-2-phenylacetonitrileHCl
Show more names
(α-cyanobenzyl)ammonium chloride(α-cyanobenzyl)ammonium chlorideà-aminobenzyl cyanide hydrochlorideα-aminobenzyl cyanide hydrochlorideaminophenyl-acetonitrilhydrochlorideà-phenylglycinonitrile hydrochloride
Database identifiers
- CAS
53641-60-4、53941-45-0- PubChem CID
- 40837
- EC Number
- 624-363-5
Properties
Computed structural properties
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 164 · 164-165 °C (dec.)(lit.)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder
- color
- pale yellow to yellow
- BRN
- 4155088 · 4155088
- InChI
- 1S/C8H8N2.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8H,10H2;1H
- InChIKey
- OGSYCVCLXAFDNE-UHFFFAOYSA-N
- SMILES
- Cl.NC(C#N)c1ccccc1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 331 · H331-H302-H312-H315-H319-H332-H335
- Precautionary statements
- 304 · P304+P340-P405-P501a-P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- AL7820000
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 36/38-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 26-37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H331-H302-H312-H315-H319-H332-H335
- Hazard Classifications
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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