4-Phenylmorpholine (HCID 62339)

Names & identifiers

Preferred name: 4-Phenylmorpholine
IUPAC: 4-phenylmorpholine
English name: 4-Phenylmorpholine
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

4-PhenylmorpholineN-PhenylmorpholineMORPHOLINE, 4-PHENYL-Phenyl morpholine(4-morpholinyl)benzeneUNII-H4OC7FB1EXH4OC7FB1EXNSC 2628BRN 0132159AI3-01091MORPHOLINE,4-PHENYLNSC-2628

Show more names

PhenylmorpholineMorpholinobenzolCompound PDK0399N-PhenylmorpholinMORPHOLINOBENZENEN-Phenyl-morpholin4-phenyl-morpholinPHENYLMORPHOLINE,N-

EINECS 202-164-0NSC-239125DTXSID80590574-27-00-00037 (Beilstein Handbook Reference)RefChem:100375DTXCID0048763FHQRDEDZJIFJAL-UHFFFAOYSA-NInChI=1/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H

Database identifiers

CAS: 92-53-5
PubChem CID: 62339
DTXSID: DTXSID8059057
ChEMBL: CHEMBL4435329
UNII: H4OC7FB1EX
EC Number: 202-164-0
Nikkaji: J42.346G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP1.36

Physicochemical properties

Melting point: 51 · 51-54 °C(lit.)
Boiling point: 165 · 165-170 °C45 mm Hg(lit.)
Density: 1.053 g/cm3 · 1.053 g/cm3 (60℃)
vapor density: 5.63 · 5.63 (vs air)
vapor pressure: 0.1 mm · <0.1 mm Hg ( 20 °C)
refractive index: 1.54 · 1.5400 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 3.46 g/L · 3.46 g/L
pka: 5.19 · 5.19±0.40(Predicted)
form: powder to crystal
color: White to Light yellow to Light red
Water Solubility: 3.46 g/L · 3.46 g/L
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: 1.36 · 1.360 (est)
CAS DataBase Reference: 92 · 92-53-5(CAS DataBase Reference)
FDA UNII: 4 OC7FB1EX · H4OC7FB1EX
NIST Chemistry Reference: 4 · Morpholine, 4-phenyl-(92-53-5)
EPA Substance Registry System: 4 · Morpholine, 4-phenyl- (92-53-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311
Precautionary statements: 264 · P264-P270-P280-P301+P312-P302+P352+P312-P361+P364
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 22 · 22-24
Safety Statements: 36 · 36/37-45-36/37/39-28A
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 2 · 2
RTECS: 8575000 · QE8575000
Autoignition Temperature: 410 °C · 410 °C
TSCA: TSCA listed
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 Oral
Toxicity: 50 orally · LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit 360 mg/kg
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: QE8575000
ridadr: UN 2811 6.1/PG 3
hs_code: 29349990
Toxicity: LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit 360 mg/kg
risk_code: 22-24
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 36/37-45-36/37/39-28A
hazard_class: 6.1(b)
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H302-H311
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 Oral
Autoignition Temperature: 410 °C
Precautionary statements: P264-P270-P280-P301+P312-P302+P352+P312-P361+P364