Basic information
- CAS
1429639-72-4- Standard SMILES
O=S1(=O)Cc2nc(Cl)nc(Cl)c2C1- InChIKey
ANVHDCBUVMKZJW-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O2S
- Average molar mass
- 239.08 g/mol
- Monoisotopic mass
- 237.9370539
Names & identifiers
- Preferred name
- 2,4-dichloro-5H,7H-6lambda6-thieno(3,4-d)pyrimidine-6,6-dione
- IUPAC
- 2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
- English name
- Thieno[3,4-d]pyrimidine, 2,4-dichloro-5,7-dihydro-, 6,6-dioxide
- Molecular formula
- C6H4Cl2N2O2S
- Molecular weight
- 239.08
Names & synonyms
1429639-72-42,4-dichloro-5H,7H-6lambda6-thieno[3,4-d]pyrimidine-6,6-dione2,4-dichloro-5H,7H-6lambda6-thieno(3,4-d)pyrimidine-6,6-dioneRefChem:443323870-115-62,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxideMFCD315567472,4-dichloro-5H,7H-6lambda-thieno[3,4-d]pyrimidine-6,6-dioneAS-845552,4-dichloro-5H,7H-6??-thieno[3,4-d]pyrimidine-6,6-dione2,4-dichloro-5H,7H-6|E?-thieno[3,4-d]pyrimidine-6,6-dioneEN300-22991707
Show more names
2,4-dichloro-5H,7H-6λ?-thieno[3,4-d]pyrimidine-6,6-dioneThieno[3,4-d]pyrimidine, 2,4-dichloro-5,7-dihydro-, 6,6-dioxide2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide - [D82894]
2,4-dichloro-5,7-dihydrothieno[3,4-d]pyrimidine6,6-dioxide2,4-Dichloro-5H,7H-6-thieno[3,4-d]pyrimidine-6,6-dioneSCHEMBL14843459EHC63972SY324278F796035Z27333767112,?4-?Dichloro-?5,?7-?dihydro-?thieno[3,?4-?d]?pyrimidine 6,?6-?dioxide
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 523.4 · 523.4±50.0 °C(Predicted)
- Density
- 1.765 · 1.765±0.06 g/cm3(Predicted)
- pka
- -6.06 · -6.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers10 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
西安橙远医药科技有限公司17792872120 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
1 records
Compound notes
Loading…