Basic information
- CAS
3621-82-7- Standard SMILES
Clc1ccc2nc(Cl)oc2c1- InChIKey
LVVQTPZQNHQLOM-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9591691
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzoxazole
- IUPAC
- 2,6-dichloro-1,3-benzoxazole
- English name
- 2,6-Dichlorobenzoxazole
- Molecular formula
- C7H3Cl2NO
- Molecular weight
- 188.01
Names & synonyms
Show more names
Database identifiers
- CAS
3621-82-7- PubChem CID
- 77175
- DTXSID
DTXSID60189769- EC Number
- 222-818-9
- Nikkaji
- J205.548A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 49 · 49-51°C
- Boiling point
- 110 °C/13mmHg · 110°C/13mmHg(lit.)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.96 · -0.96±0.30(Predicted)
- form
- fused solid
- color
- White
- InChI
- InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
- InChIKey
- LVVQTPZQNHQLOM-UHFFFAOYSA-N
- SMILES
- O1C2=CC(Cl)=CC=C2N=C1Cl
- CAS DataBase Reference
- 3621 · 3621-82-7(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50.6%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (49.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (49.4%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (48.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (49.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (50.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 8 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
Regulatory information
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,6-Dichlorobenzoxazole is used in the synthesis of 2-(3-(2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy)propoxy)-5-(trifluoromethyl)benzo[d]oxazole, an insecticide against Spodoptera exigua.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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