CAS 81-96-9|3-Bromobenzanthrone

Introduction：Basic information about CAS 81-96-9|3-Bromobenzanthrone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Synonyms

Common Name	3-Bromobenzanthrone
CAS Number	81-96-9	Molecular Weight	309.157
Density	1.6±0.1 g/cm3	Boiling Point	483.0±14.0 °C at 760 mmHg
Molecular Formula	C₁₇H₉BrO	Melting Point	164-166°C
MSDS	/	Flash Point	136.3±7.4 °C

Names

Name	3-bromobenzo[b]phenalen-7-one
Synonym	More Synonyms

Chemical & Physical Properties

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
InChIKey	WVECFEIAZAKUNF-UHFFFAOYSA-N
SMILES	O=C1c2ccccc2-c2ccc(Br)c3cccc1c23

Toxicological Information

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

Safety Information

Hazard Codes	T+
Risk Phrases	R22
Safety Phrases	S22-S36/37
RTECS	CX5077000
HS Code	2914700090

Customs

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%

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-

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