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Home> Encyclopedia >   /  Herbicide  /  Pharmaceutical Intermediates  /  Agrochemicals & Pesticides  /  Pharmaceutical  /  Organic Intermediate
Carbonic-14C acid,calcium salt (1:1) (8CI,9CI) structure
Carbonic-14C acid,calcium salt (1:1) (8CI,9CI) structure

Carbonic-14C acid,calcium salt (1:1) (8CI,9CI)

Iupac Name:2-(phosphonomethylamino)acetic acid
CAS No.:1071-83-6
Molecular Weight:169.073081
1. Names and Identifiers
1.1 Name
Carbonic-14C acid,calcium salt (1:1) (8CI,9CI)
1.2 Synonyms

Calciumcarbonate (Ca14CO3)

1.3 CAS No.
1071-83-6
1.4 CID
3496
1.5 Molecular Formula
C12H19CLN2O2 (isomer)
1.6 Inchi
InChI=1/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
1.7 InChkey
XDDAORKBJWWYJS-UHFFFAOYSA-N
1.8 Canonical Smiles
C(C(=O)O)NCP(=O)(O)O
1.9 Isomers Smiles
C(C(=O)O)NCP(=O)(O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
230℃
3.2 Boiling Point
411.7°C at 760 mmHg
3.3 Vapour
1.94e-07 mm Hg at 113 ° F (NTP, 1992)
3.4 Refractive Index
1.576
3.5 Flash Point
149°C
4. Safety and Handling
4.1 Risk Statements
R41;R51/53
4.2 Safety Statements
S2;S26;S39;S61
4.3 Transport
UN 3077 9/PG 3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P273 Avoid release to the environment.

Response

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

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:169.073081g/mol
  • Molecular Formula:C12H19CLN2O2
  • Exact Mass:169.014009
  • Monoisotopic Mass:169.014009
  • Complexity:162
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:107
  • Heavy Atom Count:10
  • 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:1
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