Basic information
- CAS
5397-64-8- Standard SMILES
O=c1cc(Cl)c(=O)[nH][nH]1- InChIKey
WNPMDHKYJTZOFF-UHFFFAOYSA-N- Molecular formula
- C4H3ClN2O2
- Average molar mass
- 146.53 g/mol
- Monoisotopic mass
- 145.988305
Names & identifiers
- Preferred name
- 4-Chloro-1,2-dihydropyridazine-3,6-dione
- IUPAC
- 4-chloro-1,2-dihydropyridazine-3,6-dione
- English name
- 3,6-Dihydroxy-4-chloropyridazine
- Molecular formula
- C4H3ClN2O2
- Molecular weight
- 146.53
Names & synonyms
4-Chloro-1,2-dihydropyridazine-3,6-dioneNSC 4243EINECS 226-422-7NSC 114056NSC 163128RefChem:5207023,6-Pyridazinedione, 4-chloro-1,2-dihydro-(8CI)3,6-Pyridazinedione, 4-chloro-1,2-dihydro-(8CI)(9CI)226-422-75397-64-83,6-DIHYDROXY-4-CHLOROPYRIDAZINE3,6-Pyridazinedione, 4-chloro-1,2-dihydro-
Show more names
4-CHLORO-3 6-PYRIDAZINEDIOL4-CHLORO-3,6-DIHYDROXYPYRIDAZINE5-chloro-6-hydroxy-3(2h)-pyridazinon1,2-dihydro-4-chloro-6-pyridazinedione3(2H)-Pyridazinone, 4-chloro-6-hydroxy-1,2-dihydro-4-chloro-3,6-pyridazinedione4-Chloro-1,2-dihydro-3,6-pyridazinedione
MFCD06654112NSC-4243NSC-114056NSC-1631283, 4-chloro-1,2-dihydro-4-chloropyridazine-3,6-diol4-Chloro-6-hydroxypyridazin-3(2H)-one5-Chloro-6-hydroxypyridazin-3(2H)-one
Database identifiers
- CAS
5397-64-8- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 285 · 285-288 °C (decomp)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7 · 7+-.0.40(Predicted)
- FDA UNII
- 56 WPC7HET · J56WPC7HET
- EPA Substance Registry System
- 3 · 3,6-Pyridazinedione, 4-chloro-1,2-dihydro- (5397-64-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers31 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Aladdin Scientific[email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
河南赢创生物科技有限公司15672878902 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…