6-Chloro-2,3-dihydrobenzoxazol-2-one

HCID 29858
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Basic information

CAS
19932-84-4
Standard SMILES
O=c1[nH]c2ccc(Cl)cc2o1
InChIKey
MATCZHXABVLZIE-UHFFFAOYSA-N
Molecular formula
C7H4ClNO2
Average molar mass
169.56 g/mol
Monoisotopic mass
168.9930561

Names & identifiers

Preferred name
6-Chloro-2,3-dihydrobenzoxazol-2-one
IUPAC
6-chloro-3H-1,3-benzoxazol-2-one
English name
6-Chloro-1,3-benzoxazol-2(3H)-one
Molecular formula
C7H4ClNO2
Molecular weight
169.57

Names & synonyms

19932-84-46-Chloro-2-benzoxazolinone2(3H)-Benzoxazolone, 6-chloro-6-Chlorobenzoxazolone6-Chloro-2,3-dihydrobenzoxazol-2-oneDTXSID2041545PG1JLE50LENSC-26191DTXCID0021545CDHB cpdRefChem:104373634-962-3
Show more names
hoe54014AC 29726SBB003865NSC 26191HOE-054014AIDS143475NSC 664284
6-Chloro-1,3-benzoxazol-2(3H)-one6-Chlorobenzo[d]oxazol-2(3H)-one6-Chlorobenzoxazolinone6-chloro-3H-1,3-benzoxazol-2-one6-Chloro-2-benzoxazolone2-BENZOXAZOLINONE, 6-CHLORO-6-chloro-2,3-dihydro-1,3-benzoxazol-2-oneHOE 54014

Database identifiers

CAS
19932-84-4
PubChem CID
29858
DTXSID
DTXSID2041545
ChEMBL
CHEMBL1989517
UNII
PG1JLE50LE
EC Number
634-962-3
Nikkaji
J41.868D

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Collision Cross Section125.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2041545]

Physicochemical properties

Melting point
192 °C · 192 °C
Density
1.3771 · 1.3771 (rough estimate)
refractive index
1.5557 · 1.5557 (estimate)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
8.34 · 8.34±0.70(Predicted)
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

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 (97.6%): 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 41 reports by companies from 4 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. 2 (100%)；STOT SE 3 (97.6%)

Safety data

wgk
3
rtecs
DM5252000
hs_code
29349990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Applications

Uses6-Chloro-1,3-Benzoxazol-2(3H)-One is used in preparation of substituted triazoles as potent ABA receptor pan-antagonists.

Upstream & downstream products

Suppliers89 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海达立康医药科技有限公司18658316824
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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