4-Aminobenzoic acid

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Names

[ CAS No. ]:
150-13-0

[ Name ]:
4-Aminobenzoic acid

[Synonym ]:
PABA,Vitamin Bx,Vitamin H1
4-Aminobenzoic Acid
EINECS 205-753-0
MFCD00007894

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
339.9±25.0 °C at 760 mmHg

[ Melting Point ]:
187-189 °C(lit.)

[ Molecular Formula ]:
C7H7NO2

[ Molecular Weight ]:
137.136

[ Flash Point ]:
159.4±23.2 °C

[ Exact Mass ]:
137.047684

[ PSA ]:
63.32000

[ LogP ]:
0.83

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.637

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. Combustible. Sensitive to light and air. May discolour on exposure to light.

[ Water Solubility ]:
4.7 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG1400000
CHEMICAL NAME :
Benzoic acid, p-amino-
CAS REGISTRY NUMBER :
150-13-0
BEILSTEIN REFERENCE NO. :
0471605
LAST UPDATED :
199710
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C7-H7-N-O2
MOLECULAR WEIGHT :
137.15
WISWESSER LINE NOTATION :
ZR DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2850 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1830 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
182 mg/kg/26W-I
TOXIC EFFECTS :
Liver - other changes Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
REFERENCE :
ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978- Volume(issue)/page/year: 5,355,1982 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,249,1978 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,249,1978 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80471 No. of Facilities: 144 (estimated) No. of Industries: 3 No. of Occupations: 10 No. of Employees: 8957 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80471 No. of Facilities: 821 (estimated) No. of Industries: 3 No. of Occupations: 21 No. of Employees: 10227 (estimated) No. of Female Employees: 6397 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H317-H319-H335-H413

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG1400000

[ HS Code ]:
29224995

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Nitrobenzoic acid
  • 4-Azidobenzoic acid
  • carbon monoxide
  • 4-Iodoaniline
  • Methyl 4-iodobenzoate
  • Sodium hypochlorite
  • Methyl 4-carbamoylbenzoate
  • tert-Butyl 4-bromobenzoate
  • 4,4'-azobisbenzoic acid
  • 4-Iodobenzoic acid

DownStream

  • 4-Hydroxy-2-methyl-quinoline-6-carboxylic acid
  • [4-[(7-chloroquinolin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
  • Methyl 4-(phenylsulfonamido)benzoate
  • 2-phenyl-1H-indole-5-carboxylic acid
  • 4-(hexanoylamino)benzoic acid
  • N-(4-Carboxyphenyl)guanidine hydrochloride
  • 4-FURAN-2-YL-BENZOIC ACID
  • Sodium 4-aminobenzoate
  • 4-(Diethylamino)benzoic acid
  • 4-(ethylamino)benzoic acid

Customs

[ HS Code ]: 2922499990

[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • Z-4-aminobenzoic acid
  • 4-AMINOBENZOIC ACID HCL
  • 4-Aminobenzoic acid-13C6
  • Fmoc-4-aminobenzoic acid
  • N-Boc-4-aminobenzoic acid
  • 2-IODO-4-AMINOBENZOIC ACID