Basic information
- CAS
120374-68-7- Standard SMILES
Cc1cc(Cl)cc2c(=O)oc(=O)[nH]c12- InChIKey
MBQXAIQVDKETLJ-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl isatoic anhydride
- IUPAC
- 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
- English name
- 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-8-methyl-
- Molecular formula
- C9H6ClNO3
- Molecular weight
- 211.6
Names & synonyms
120374-68-7RefChem:5347135-Chloro-3-methyl isatoic anhydride806-830-76-chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione6-chloro-8-methyl-2H-3,1-benzoxazine-2,4(1H)-dione6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione6-Chloro-8-methyl-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione6-Chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione;6-Chloro-8-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dioneSCHEMBL634152SCHEMBL30087001MBQXAIQVDKETLJ-UHFFFAOYSA-N
Show more names
6-chloro-8-Methyl-1,3-Benzoxazine-2,4-dion2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-8-methyl-
DTXSID701381775AKOS012410343DB-399536CS-0247010EN300-35272476-chloro-8-methyl-1H-benzo[d]-1,3-oxazine-2,4-dione6-chloro-8-methyl-2H-3,1-benzoxazine-2,4-(1H)-dione6-Chloro-8-methyl-2H-3,1-bezoxazine-2,4(1H)-dione
Database identifiers
- CAS
120374-68-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 2
- 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
- 281
Physicochemical properties
- Melting point
- 258 · 258-260 °C
- Density
- 1.463 · 1.463±0.06 g/cm3(Predicted)
- solubility
- DMSO; DMF
- form
- Solid
- pka
- 9.77 · 9.77±0.20(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-Chloro-8-methyl-2H-3,1-benzoxazine-2,4(1H)-dione is an intermediate in the synthesis of Chlorantraniliprole-D3 (C325384), an isotopic labeled compound of Chlorantraniliprole (C325380); a pyrazolylpyridine insecticide and an activator of insect ryanodine receptor. Used in Pesticide detection.
Upstream & downstream products
Downstream products
Suppliers14 total
郑州汇聚化工有限公司13393710386 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
杭州亦宁医药技术有限公司18458316404 18157189925 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
44 records
Compound notes
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