7-Chloro-3,4-dihydro-2H-1,4-benzoxazine - CAS 113770-21-1

Catalog:	BB003219
Product Name:	7-Chloro-3,4-dihydro-2H-1,4-benzoxazine
CAS:	113770-21-1
Synonyms:	7-chloro-3,4-dihydro-2H-1,4-benzoxazine; 7-chloro-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-chloro-3,4-dihydro-2H-1,4-benzoxazine
Description:	7-Chloro-3,4-dihydro-2H-1,4-benzoxazine (CAS# 113770-21-1) is a useful research chemical.
Molecular Weight:	169.61
Molecular Formula:	C8H8ClNO
Canonical SMILES:	C1COC2=C(N1)C=CC(=C2)Cl
InChI:	InChI=1S/C8H8ClNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChI Key:	AOVKRHZWXUMSLV-UHFFFAOYSA-N
MDL:	MFCD07364075
LogP:	2.28230

Publication Number	Title	Priority Date
US-2020390759-A1	Modulators of integrated stress response pathway	20190612
WO-2020252205-A1	Inhibitors of integrated stress response pathway	20190612
AU-2018330423-A1	Vasopressin receptor antagonists and products and methods related thereto	20170905
CA-3072766-A1	Vasopressin receptor antagonists and products and methods related thereto	20170905
KR-20200051686-A	Vasopressin receptor antagonists and related products and methods	20170905

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Related Functional Groups

Benzoxazines

[1781048-50-7]
8-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[928256-37-5]
6-Methoxy-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[1780525-17-8]
5-Fluoro-1H-benzo[d][1,3]oxazin-2(4H)-one
[1067171-66-7]
5-Fluoro-3,4-dihydro-2H-1,4-benzoxazine
[888731-58-6]
5-Methyl-3,4-dihydro-2H-1,4-benzoxazine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0294416
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0294416
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3