Basic information
- CAS
125849-94-7- Standard SMILES
Cc1oc(=O)c(Cl)nc1Cl- InChIKey
IQINLHFBRNSNIE-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2NO2
- Average molar mass
- 179.99 g/mol
- Monoisotopic mass
- 178.9540837
Names & identifiers
- Preferred name
- 3,5-Dichloro-6-methyl-1,4-oxazin-2-one
- IUPAC
- 3,5-dichloro-6-methyl-1,4-oxazin-2-one
- English name
- 3,5-Dichloro-6-methyl-1,4-oxazin-2-one
- Molecular formula
- C5H3Cl2NO2
- Molecular weight
- 179.99
Names & synonyms
3,5-dichloro-6-methyl-1,4-oxazin-2-oneRefChem:486740813-522-6125849-94-73,5-dichloro-6-methyl-2H-1,4-oxazin-2-one2H-1,4-Oxazin-2-one, 3,5-dichloro-6-methyl-3,5-dichloro-6-methyl-[1,4]oxazin-2-oneMFCD11110701SCHEMBL928788DTXSID40454609IQINLHFBRNSNIE-UHFFFAOYSA-NAFA84994
Show more names
AKOS006306147SB32301AS-65852CS-0077525EN300-179250W11390F242328
Database identifiers
- CAS
125849-94-7- PubChem CID
- 11084473
- DTXSID
DTXSID40454609- EC Number
- 813-522-6
- Nikkaji
- J344.727H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 212 ℃ · 212℃
- Density
- 1.62 · 1.62
- Flash point
- 82 ℃ · 82℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -4.14 · -4.14±0.40(Predicted)
- 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
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 (50%): 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 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
上海业立嘉实业有限公司13564383169 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
兰州华浩生物医药科技有限责任公司18189674620 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
1 records
Compound notes
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