4-Phenylmorpholine

N-PHENYLMORPHOLINE · Phenylmorpholine · Morpholinobenzol · Compound PDK0399 · N-Phenylmorpholin · MORPHOLINOBENZENE · 4-PHENYLMORPHOLINE · N-Phenyl-morpholin

https://huagongshe.com/en/chemical/62339

Identifiers & Physical Properties

CAS No.	92-53-5
Molecular formula	C10H13NO
Average molar mass	163.22 g/mol
Monoisotopic mass	163.09971404 g/mol
SMILES	c1ccc(N2CCOCC2)cc1
InChIKey	FHQRDEDZJIFJAL-UHFFFAOYSA-N
PubChem CID	62339
ChEMBL	CHEMBL4435329
EC No.	202-164-0
DTXSID	DTXSID8059057

Chemical & Physical Properties

XLogP	1.4
Topological polar surface area	12.5
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	1
Heavy atoms	12
Formal charge	0
Complexity	126
SpringerMaterials Properties	Chemical shift
LogP (partition coefficient)	1.36
Melting point	51-54 °C(lit.)
Boiling point	165-170 °C45 mm Hg(lit.)
Density	1.053 g/cm3 (60℃)
Vapor density	5.63 (vs air)
Vapor pressure	<0.1 mm Hg ( 20 °C)
Refractive index	1.5400 (estimate)
Flash point	>230 °F
Storage conditions	Store below +30°C.
Solubility	3.46 g/L
pKa (acidity coefficient)	5.19±0.40(Predicted)
Physical state	powder to crystal
Color	White to Light yellow to Light red
InChI	1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2
InChIKey	FHQRDEDZJIFJAL-UHFFFAOYSA-N
SMILES	C1CN(CCO1)c2ccccc2
LogP (partition coefficient)	1.360 (est)
CAS DataBase Reference	92-53-5(CAS DataBase Reference)
FDA UNII	H4OC7FB1EX
NIST Chemistry Reference	Morpholine, 4-phenyl-(92-53-5)
EPA Substance Registry System	Morpholine, 4-phenyl- (92-53-5)
UNSPSC Code	12352100
NACRES	NA.22
GHS pictogram	GHS06
Signal word	Danger
GHS hazard statements	H302-H311
GHS precautionary statements	P264-P270-P280-P301+P312-P302+P352+P312-P361+P364
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard symbols	T
Risk statements (R)	22-24
Safety statements (S)	36/37-45-36/37/39-28A
UN transport number	UN 2811 6.1/PG 3
Water hazard class (WGK)	2
RTECS number	QE8575000
Autoignition temperature	410 °C
TSCA inventory status	TSCA listed
Hazard class	6.1(b)Acute Tox. 3 DermalAcute Tox. 4 Oral
Packing group	III
Customs code	29349990
Storage class	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Toxicity	LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit 360 mg/kg
Limited quantities	5.0 kg (11 lbs) (solid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

Excepted quantities
GHS classification	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P262, P264, P270, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Water hazard class (WGK)	2
TSCA inventory status	TSCA listed
RTECS number	QE8575000
UN transport number	UN 2811 6.1/PG 3
Customs code	29349990
Toxicity	LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit 360 mg/kg
Risk statements (R)	22-24
Signal word	Danger
GHS pictogram	GHS06
Hazard symbols	T
Safety statements (S)	36/37-45-36/37/39-28A
Hazard class	6.1(b)Acute Tox. 3 DermalAcute Tox. 4 Oral
Storage class	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Packing group	III
GHS hazard statements	H302-H311
Limited quantities	5.0 kg (11 lbs) (solid)

Applications & Uses

Uses

4-Phenylmorpholine was used as internal standard during the determination of alkaloids by gas chromatographic method.

General Description

4-Phenylmorpholine undergoes oxidation to yield N-formyl-N-2-hydroxyethylaniline.