Basic information
- CAS
944709-69-7- Standard SMILES
COC(=O)c1cc2c(Cl)ncnc2[nH]1- InChIKey
XMIPXNXFZLDDPZ-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O2
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.01485411
Names & identifiers
- Preferred name
- methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
- English name
- 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester
- Molecular formula
- C8H6ClN3O2
- Molecular weight
- 211.61
Names & synonyms
944709-69-7methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylateDTXSID70653360Methyl 4-chloro-7H-pyrrolo(2,3-d)pyrimidine-6-carboxylateRefChem:355673DTXCID70604110867-916-84-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl esterMFCD09702013SCHEMBL10316687METHYL4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATEAKOS015949993
Show more names
4-Chloro-7H-pyrrolo[2,3-d...7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, methyl ester
UMB70969PB22225AS-33455SY108071DB-079898CS-0049042EN300-1718385F244385
Database identifiers
- CAS
944709-69-7- PubChem CID
- 37819166
- DTXSID
DTXSID70653360- EC Number
- 867-916-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.15 · 9.15±0.50(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- 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]
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
- H315-H319-H335-H302
- 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
Applications
UsesMethyl 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylate (cas# 944709-69-7) is used in the preparation of diazacyclicpyrrolopyrimidine derivatives and analogs for use as JAK receptor and protein tyrosine kinase inhibitors.
Suppliers28 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
甘肃德通医药化学技术有限公司18993961550 18993966060 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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