2,6-Dichlorobenzoxazole

HCID 77175

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

2,6-Dichlorobenzoxazole3621-82-7EINECS 222-818-9DTXSID60189769EC 222-818-9RefChem:83184DTXCID70112260222-818-92,6-dichloro-1,3-benzoxazolebenzoxazole, 2,6-dichloro-2,6-DICHLOROBENZO[D]OXAZOLEMFCD07368635
Show more names
DCBON-Butyldiolaminedichlorobenzoxazole2,6-chlorobenzoxazole6-Dichlorobenzoxazole2,6-Dichlorbenzoxazol2,6-Dichlorobenzoxazolel2,6-Dichlorobenzoxazole>2,6-dichlorobenzo[d]oxazole
2,6-dichlorobenzooxazole2,6-dichloro benzoxazole2,6-dichloro-benzoxazoleSCHEMBL8951722,6-Dichloro-1,3-benzooxazole2,6-DICHLORO-BENZOOXAZOLE2,6-dichlorobenzoxazole, AldrichCPRAB2806

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

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 InformationStatus: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11973
Hazard Classes and CategoriesAcute Tox. 4 (98.8%);Acute Tox. 3 (50.6%);Skin Corr. 1B (49.4%);Skin Sens. 1 (49.4%);Eye Irrit. 2 (48.1%);Aquatic Acute 1 (49.4%);Aquatic Chronic 1 (50.6%)

Regulatory information

Regulatory InformationStatus: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11973

Safety data

wgk
WGK 3
hs_code
2934999090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

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.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

38 records

Compound notes

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