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81-96-9

81-96-9 structure
81-96-9 structure
  • Name: 3-Bromobenzanthrone
  • Chemical Name: 3-bromobenzo[b]phenalen-7-one
  • CAS Number: 81-96-9
  • Molecular Formula: C17H9BrO
  • Molecular Weight: 309.157
  • Create Date: 2018-04-28 08:00:00
  • Modify Date: 2025-08-25 13:27:59
Name 3-bromobenzo[b]phenalen-7-one
Synonyms 3-Brom-benz[de]anthracen-7-on
3-Bromo-7H-benz[de]anthracen-7-one
Bz 1-Brom-benzanthron
7H-Benz[de]anthracen-7-one,3-bromo
3-Bromobenzanthrone
3-Bromobenz(de)anthracen-7-one
3-Bromo-7H-benzo[de]anthracen-7-one
3-Brom-benzanthron
3-Bromobenz(d,e)anthrone
3-Brombenzanthrone
7-Bromomesobenzanthrone
EINECS 201-390-7
MFCD00021094
Benzanthrone,3-bromo
7H-Benz[de]anthracen-7-one, 3-bromo-
Density 1.6±0.1 g/cm3
Boiling Point 483.0±14.0 °C at 760 mmHg
Melting Point 164-166°C
Molecular Formula C17H9BrO
Molecular Weight 309.157
Flash Point 136.3±7.4 °C
Exact Mass 307.983673
PSA 17.07000
LogP 5.58
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.750

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CX5077000
CHEMICAL NAME :
7H-Benz(de)anthracen-7-one, 3-bromo-
CAS REGISTRY NUMBER :
81-96-9
BEILSTEIN REFERENCE NO. :
1975512
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C17-H9-Br-O
MOLECULAR WEIGHT :
309.17
WISWESSER LINE NOTATION :
L C6666 1A Q IVJ OE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,566,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2400 mg/kg
TOXIC EFFECTS :
Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 gm/kg/30D-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in erythrocyte (RBC) count
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3 JAN 1993
Hazard Codes T+
Risk Phrases R22
Safety Phrases S22-S36/37
RTECS CX5077000
HS Code 2914700090
82-05-3 structure

82-05-3

~88%

81-96-9 structure

81-96-9

Literature: Patil, Vilas Venunath; Shankarling, Ganapati Subray Beilstein Journal of Organic Chemistry, 2014 , vol. 10, p. 921 - 928
756499-00-0 structure

756499-00-0

~%

81-96-9 structure

81-96-9

Literature: Journal of the Chemical Society, , p. 1096,1101
82-05-3 structure

82-05-3

7726-95-6 structure

7726-95-6

7553-56-2 structure

7553-56-2

64-19-7 structure

64-19-7

~%

Detail
Literature: J. Soc. chem. Ind. Japan Spl., , vol. 42, p. 316
7791-25-5 structure

7791-25-5

82-05-3 structure

82-05-3

7726-95-6 structure

7726-95-6

7553-56-2 structure

7553-56-2

98-95-3 structure

98-95-3

Detail
Literature: US2180835 , ;
HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
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