Basic information
- CAS
32998-04-2- Standard SMILES
CN(C)c1nc(N)nc(Cl)n1- InChIKey
SIVRBYULLRGOGD-UHFFFAOYSA-N- Molecular formula
- C5H8ClN5
- Average molar mass
- 173.6 g/mol
- Monoisotopic mass
- 173.046823
Overview
an herbicide; structure in first source
Names & identifiers
- Preferred name
- 6-chloro-N,N-dimethyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
- English name
- 6-chloro-N,N-dimethyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C5H8ClN5
- Molecular weight
- 173.6
Names & synonyms
32998-04-26-chloro-N,N-dimethyl-1,3,5-triazine-2,4-diamineDTXSID80279737CAT triazine cpdRefChem:104426DTXCID102308916-Chloro-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamineMFCD00460497NSC13914CHEMBL44157SCHEMBL15381134
Show more names
(4-amino-6-chloro-s-triazin-2-yl)-dimethyl-amine1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2-dimethyl-
SCHEMBL29391673ALBB-006593NSC-13914AKOS004911053SB73306LS-02336SY085210CS-0327804
Database identifiers
- CAS
32998-04-2- PubChem CID
- 224971
- DTXSID
DTXSID80279737- ChEMBL
CHEMBL44157- Nikkaji
- J452.117J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 220 · 220-222 °C
- Boiling point
- 377.6 · 377.6±25.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2-dimethyl- ( (32998-04-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P363-P501
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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