Basic information
- CAS
14080-59-2- Standard SMILES
Clc1ncnc2sccc12- InChIKey
NZCRUBBNZGVREM-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2S
- Average molar mass
- 170.62 g/mol
- Monoisotopic mass
- 169.97054678
Overview
4-Chlorothieno[2,3-d]pyrimidine is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.
Names & identifiers
- Preferred name
- 4-Chlorothieno[2,3-d]pyrimidine
- IUPAC
- 4-chlorothieno[2,3-d]pyrimidine
- English name
- 4-Chlorothieno[2,3-d]pyrimidine
- Molecular formula
- C6H3ClN2S
- Molecular weight
- 170.62
Names & synonyms
4-Chlorothieno[2,3-d]pyrimidine14080-59-2DTXSID503530734-Chlorothieno(2,3-d)pyrimidineRefChem:292192DTXCID00304136672-503-9thieno[2,3-d]pyrimidine, 4-chloro-MFCD013123734-chloro-thieno[2,3-d]pyrimidineCHEBI:194638HMS1728C22
Show more names
BUTTPARK 48\18-414-Chlorothienol[2,3-d]pyrimidine4-CHLOROTHIENO[2,3-D]PYRIMIDINE ISO 9001：2015 REACH
CS-W005019PB14219BP-11120SY006753EN300-074047P-7074-chlorothiopheno[2,3-d]pyrimidine4-Chloro-thieno[2,3-d]pyrimidine;
Database identifiers
- CAS
14080-59-2- PubChem CID
- 736618
- DTXSID
DTXSID50353073- ChEBI
CHEBI:194638- EC Number
- 672-503-9
- Nikkaji
- J2.082.308I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 109 · 109-113°C
- Boiling point
- 285.7 · 285.7±20.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Dichloromethane, DMSO
- form
- Solid
- pka
- 0.42 · 0.42±0.40(Predicted)
- color
- Slightly Yellowish Crystalline
- CAS DataBase Reference
- 14080 · 14080-59-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25-36
- Safety Statements
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- ridadr
- UN2811
- hs_code
- 2933599590
- risk_code
- 25-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-45
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chlorothieno[2,3-d]pyrimidine (cas# 14080-59-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海凯曼化工科技有限公司021-021-50400622 15618790390 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]
Related reactions
63 records
Compound notes
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