Basic information
- CAS
15159-40-7- Standard SMILES
O=C(Cl)N1CCOCC1- InChIKey
XMWFMEYDRNJSOO-UHFFFAOYSA-N- Molecular formula
- C5H8ClNO2
- Average molar mass
- 149.57 g/mol
- Monoisotopic mass
- 149.02435618
Names & identifiers
- Preferred name
- 4-Morpholinecarbonyl chloride
- IUPAC
- morpholine-4-carbonyl chloride
- English name
- 4-Morpholinecarbonyl chloride
- Molecular formula
- C5H8ClNO2
- Molecular weight
- 149.58
Names & synonyms
4-Morpholinecarbonyl chloridemorpholine-4-carbonyl chloride4-Morpholinylcarbonyl ChlorideQ4BT2G3XS8EINECS 239-213-0NSC 50226NSC-50226DTXSID9065863RefChem:99980DTXCID3034905InChI=1/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4HXMWFMEYDRNJSOO-UHFFFAOYSA-N
Show more names
4-MorpholinecarbonylMorpholincarbonylchloridN-CHLOROFORMYLMORPHOLINE4-CHLOROCARBONYLMORPHOLINEMORPHOLIN-4-YLCARBONYL CHLORIDE
15159-40-7N-ChlorocarbonylmorpholineMorpholinocarbonyl chloride4-(Chloroformyl)morpholineMorpholine, 4-(chlorocarbonyl)-N-Morpholinocarbonyl chlorideMFCD00037053morpholine-4-carbonylchloride
Database identifiers
- CAS
15159-40-7- PubChem CID
- 84810
- DTXSID
DTXSID9065863- UNII
- Q4BT2G3XS8
- EC Number
- 239-213-0
- Nikkaji
- J52.351H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 137 · 137-138 °C/33 mmHg (lit.)
- Density
- 1.282 g/mL · 1.282 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- -2.16 · -2.16±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 116257 · 116257
- InChI
- InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
- InChIKey
- XMWFMEYDRNJSOO-UHFFFAOYSA-N
- SMILES
- C(Cl)(N1CCOCC1)=O
- CAS DataBase Reference
- 15159 · 15159-40-7(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 4 BT2G3XS8 · Q4BT2G3XS8
- EPA Substance Registry System
- 4 · 4-Morpholinecarbonyl chloride (15159-40-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H351
- Precautionary statements
- 201 · P201-P302+P352-P305+P351+P338-P308+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 14 · 14-36/38-40
- Safety Statements
- 26 · 26-30-36-38
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Eye · Carc. 2Eye Irrit. 2Skin Irrit. 2
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: 4-Morpholinecarbonyl chloride
Other Safety InformationIMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Carcinogenicity - category 2
Carc. 2
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29349990
- risk_code
- 14-36/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-30-36-38
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H315-H319-H351
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Carc. 2Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P201-P302+P352-P305+P351+P338-P308+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Morpholinecarbonyl chloride: INACTIVE
Applications
UsesPhotographic intermediate
Uses4-Morpholinecarbonyl chloride may be used in the preparation of a versatile fluorogenic label for biomolecular imaging. It may be used in the synthesis of:morpholine-4-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amidemorpholine-4-carboxylic acid [4-(2,4,6-trimethylphenyl)thiazol-2-yl]amide2-isopropyl-6-methylpyrimidin-4-yl morpholine-4-carboxylate
General Description4-Morpholinecarbonyl chloride is a photographic intermediate. Rates of solvolysis of 4-morpholinecarbonyl chloride with N-alkyl group in aqueous binary solvents of acetone, ethanol, methanol, methanol-d, 2,2,2-trifluoroethanol, pure water and D2O has been determined. Preparation of 4-morpholinecarbonyl chloride has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
526 records
Compound notes
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