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Home> Encyclopedia > Hot Product Listed 7   > 7-Aminocephalosporanic acid;7-ACA
957-68-6 structure

7-Aminocephalosporanic acid;7-ACA

Iupac Name:(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS No.:957-68-6
EINECS(EC#): 213-485-0
Molecular Weight:272.275
Molecular Formula:C10H12N2O5S (isomer)
Names and Identifiers
Synonyms

(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (6r,7s)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 7&beta 7-ACA 7-ACS 7-AMINO CEPHALOSPORIC ACID 7-Aminocephalosporanic acid 7-AMinocephalosporanic acid 98% 7-Aminocephalosporanic acid, Antibiotic for Culture Media Use Only 7beta-aminocephalosporanic acid -aminocephalosporanic acid Cefazolin Sodium Impurity H Cephalosporin Intermediate: 7-Aminocephalosporanic Acid

Inchi
InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
InChkey
HSHGZXNAXBPPDL-HZGVNTEJSA-N
Canonical Smiles
CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
Properties
Appearance
off-white to beige crystalline powder
Density
1.6
Melting Point
300℃
Boiling Point
560.6 °C at 760 mmHg
Refractive Index
1.66
Flash Point
292.9 °C
Alpha
94 o (C=0.5, KH2PO4, PH 7)
Solubility
Very soluble
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
2934996000
Storage temp
2-8°C
Safety and Handling
Hazard Codes
Xn; Xi
Risk Statements
R42/43
Safety Statements
S24/25
Safety

Hazard Codes:?HarmfulXn,?IrritantXi
Risk Statements: 42/43-36/37/38-20/21/22?
R42/43:May cause sensitization by inhalation and skin contact.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37-24/25-36-26?
S22:Do not breathe dust.?
S36/37:Wear suitable protective clothing and gloves.?
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Transport
25kgs
Specification

?7-Aminocephalosporanic Acid (CAS NO.957-68-6) is also named as 7-ACA ; 7-ACS ; 7beta-Aminocephalosporanic acid ; 3-Acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid .?7-Aminocephalosporanic Acid (CAS NO.957-68-6) is off-white to beige crystalline powder.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H317 May cause an allergic skin reaction

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:272.275g/mol
  • Molecular Formula:C10H12N2O5S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_4
  • Exact Mass:272.047
  • Monoisotopic Mass:272.047
  • Complexity:461
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:135A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzOABAAAAAAAAAAAAAAABYAAAAAAAgAAAAAAAQAAAAAAAAHgQQCAAADCjlwAaCCANABgiI AgXQWAAAAABAABAACIGIAEACRAggICAWEAAAFgCwMQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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