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Home> Encyclopedia > Hot Product Listed G   > Glycine,N-benzoyl-
495-69-2 structure

Glycine,N-benzoyl-

CAS No.:495-69-2
EINECS(EC#): 207-806-3
Molecular Weight:179.17266
Molecular Formula:C9H9NO3 (isomer)
Names and Identifiers
Synonyms

2-(Benzoylamino)acetic acid Acetic acid,(benzoylamino)- Benzamidoacetic acid Benzoyl Glycocoll Benzoylglycine Hippuricacid (8CI) N-Benzoylglycine NSC 9982 Phenylcarbonylaminoacetic acid

Inchi
InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChkey
QIAFMBKCNZACKA-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=O)NCC(=O)O
Properties
Appearance
white crystal
Density
1.37
Melting Point
188-191℃
Boiling Point
464.1°C at 760 mmHg
Flash Point
234.5°C
Solubility
soluble in hot water (soluble in alcohol, ether) Appearance:white crystal
Transport Information:25kgs
Hazard Symbols:UN NO.
particular:particular
Stability
Stable. Incompatible with oxidizing agents.
HS Code
2924299090
Storage temp
Store at RT.
Safety and Handling
Hazard Codes
Xn; Xi
Risk Statements
R22
Safety Statements
S24/25
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MR8150000
CHEMICAL NAME :
Hippuric acid
CAS REGISTRY NUMBER :
495-69-2
BEILSTEIN REFERENCE NO. :
1073987
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H9-N-O3
MOLECULAR WEIGHT :
179.19
WISWESSER LINE NOTATION :
QV1MVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 112,53,1973
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory 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.

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

P271 Use only outdoors or in a well-ventilated area.

Response

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

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

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:179.17266g/mol
  • Molecular Formula:C9H9NO3
  • XLogP3-AA:0.3
  • Exact Mass:179.058243
  • Monoisotopic Mass:179.058243
  • Complexity:197
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.4
  • Heavy Atom Count:13
  • 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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