Basic information
- CAS
4693-00-9- Standard SMILES
O=c1[nH]c2c(Cl)cc(Cl)cc2c(=O)o1- InChIKey
VOCGTJXVKKCXJH-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2NO3
- Average molar mass
- 232.02 g/mol
- Monoisotopic mass
- 230.9489983
Names & identifiers
- Preferred name
- 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione
- IUPAC
- 6,8-dichloro-1H-3,1-benzoxazine-2,4-dione
- English name
- 3,5-Dichloroisatoic anhydride
- Molecular formula
- C8H3Cl2NO3
- Molecular weight
- 232.02
Names & synonyms
4693-00-93,5-Dichloroisatoic anhydride6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dioneEINECS 225-149-0DTXSID90196986RefChem:538748DTXCID30119477225-149-06,8-dichloro-1H-benzo[d][1,3]oxazine-2,4-dione6,8-dichloro-1H-3,1-benzoxazine-2,4-dione6,8-dichloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione6,8-dichloro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
Show more names
6,8-dichloro-2H-3,1-benzoxazine-2,4-dione6,8-dichloro-1H-3,1-benzoxazine-2,4-quinone2H-3,1-Benzoxazine-2,4(1H)-dione, 6,8-dichloro-
V9PWB6PLS86,8-dichloroisatoic anhydrideSCHEMBL2061473SCHEMBL30804569BBL009788MFCD00186042STK939529STL145833
Database identifiers
- CAS
4693-00-9- PubChem CID
- 78413
- DTXSID
DTXSID90196986- UNII
- V9PWB6PLS8
- EC Number
- 225-149-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 251 · 251-253 °C
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.67 · 8.67±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
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