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Home> Encyclopedia >   /  Central Nervous System Agents  /  Carbonate  /  Pharmaceutical Intermediates  /  Other Chemicals  /  Organic Intermediate
Carbamic acid,(2,3-dichlorophenyl)-, 1-methylethyl ester (9CI) structure
Carbamic acid,(2,3-dichlorophenyl)-, 1-methylethyl ester (9CI) structure

Carbamic acid,(2,3-dichlorophenyl)-, 1-methylethyl ester (9CI)

Iupac Name:dilithium;carbonate
CAS No.:554-13-2
Molecular Weight:73.888
1. Names and Identifiers
1.1 Name
Carbamic acid,(2,3-dichlorophenyl)-, 1-methylethyl ester (9CI)
1.2 Synonyms

2,3-DCIPC 2150-24-5 AKOS024334335 Carbanilicacid, 2,3-dichloro-, isopropyl ester (7CI,8CI) DTXSID50944107 ISOPROPYL N-(2,3-DICHLOROPHENYL)CARBAMATE Isopropyl2,3-dichlorocarbanilate MCULE-3469971032 NSC 57704 NSC57704 Propan-2-yl hydrogen (2,3-dichlorophenyl)carbonimidate ZINC395163

1.3 CAS No.
554-13-2
1.4 CID
11125
1.5 Molecular Formula
C17H27NO3 (isomer)
1.6 Inchi
InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
1.7 InChkey
XGZVUEUWXADBQD-UHFFFAOYSA-L
1.8 Canonical Smiles
[Li+].[Li+].C(=O)([O-])[O-]
1.9 Isomers Smiles
[Li+].[Li+].C(=O)([O-])[O-]
2. 3D Conformer
3. Properties
3.1 Melting Point
720℃
3.2 Refractive Index
INDEX OF REFRACTION: 1.428, 1.567, 1.572
3.3 Flash Point
110 ºC
4. Safety and Handling
4.1 Risk Statements
R22;R36/37/38;R41
4.2 Safety Statements
S26;S37/39
4.3 Hazard Note
H302; H319
4.4 Transport
50kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:73.888g/mol
  • Molecular Formula:C17H27NO3
  • Compound Is Canonicalized:True
  • Exact Mass:74.017
  • Monoisotopic Mass:74.017
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcQwAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAI AAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • Lithium Carbonate is ionic; the lithium is positively charged and the carbonate negative. We usually do not describe ionic compounds as polar or non-polar, but it is more similar to a polar compound. It will dissolve in a polar solvent.
  • Does anyone know or could make an educated guess as to the conductivity/resistivity of molten lithium carbonate? Ideally, around 750 degrees C.
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