4-Chlorothieno[2,3-d]pyrimidine-6-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
86825-96-9- Standard SMILES
O=C(O)c1cc2c(Cl)ncnc2s1- InChIKey
ZWZIELMLHCTSQY-UHFFFAOYSA-N- Molecular formula
- C7H3ClN2O2S
- Average molar mass
- 214.63 g/mol
- Monoisotopic mass
- 213.9603762
Names & identifiers
- Preferred name
- 4-Chlorothieno[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid
- English name
- 4-chlorothieno[2,3-d]pyriMidine-6-carboxylic acid
- Molecular formula
- C7H3ClN2O2S
- Molecular weight
- 214.63
Names & synonyms
4-CHLOROTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID86825-96-9DTXSID707264024-Chlorothieno(2,3-d)pyrimidine-6-carboxylic acidRefChem:292193DTXCID70677147970-306-5MFCD20265442Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-SCHEMBL3976703ZWZIELMLHCTSQY-UHFFFAOYSA-NLDA82596
Show more names
AKOS022925542PB19719AS-36213DB-305912CS-0050882F3020804-CHLOROTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLICACID
Database identifiers
- CAS
86825-96-9- PubChem CID
- 57434136
- DTXSID
DTXSID70726402- EC Number
- 970-306-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 443.4 · 443.4±40.0 °C(Predicted)
- Density
- 1.731 · 1.731±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 2.49 · 2.49±0.30(Predicted)
- form
- solid
- Appearance
- white solid
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RIDADR
- 2811 · UN2811
- HS Code
- 2933399990 · 2933399990
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
- ridadr
- UN2811
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…