1,3,5-Triazin-2-amine, 4-chloro-
Basic information
- CAS
7709-13-9- Standard SMILES
Nc1ncnc(Cl)n1- InChIKey
ULVNIJSKNRGBHX-UHFFFAOYSA-N- Molecular formula
- C3H3ClN4
- Average molar mass
- 130.53 g/mol
- Monoisotopic mass
- 130.0046238
Names & identifiers
- Preferred name
- 1,3,5-Triazin-2-amine, 4-chloro-
- IUPAC
- 4-chloro-1,3,5-triazin-2-amine
- English name
- 4-AMino-2-chloro-1,3,5-triazine
- Molecular formula
- C3H3ClN4
- Molecular weight
- 130.54
Names & synonyms
4-Chloro-1,3,5-triazin-2-amine4-Amino-2-chloro-1,3,5-triazine1,3,5-Triazin-2-amine, 4-chloro-2-AMINO-4-CHLORO-S-TRIAZINEs-Triazine, 2-amino-4-chloro-DTXSID30227869RefChem:217241DTXCID30150360823-503-47709-13-92-amino-4-chloro-1,3,5-triazineMFCD19203794
Show more names
4-Chloro-[1,3,5]triazin-2-ylamine
C3H3ClN42-Amino-4-chloro-s-triazine; 4-Amino-2-chloro-1,3,5-triazine; 4-Chloro-1,3,5-triazin-2-amineSCHEMBL154798SCHEMBL1401038SCHEMBL3402013SCHEMBL29370381ULVNIJSKNRGBHX-UHFFFAOYSA-NHAA70913
Database identifiers
- CAS
7709-13-9- PubChem CID
- 24381
- DTXSID
DTXSID30227869- EC Number
- 823-503-4
- Nikkaji
- J1.556.096G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Physicochemical properties
- Boiling point
- 383.3 · 383.3±25.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Dichloromethane, Methanol
- pka
- 2.62 · 2.62±0.10(Predicted)
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of atrazine (A794600).
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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