CAS No.57-97-6,7,12-DIMETHYLBENZ[A]ANTHRACENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	57-97-6
Name:	7,12-DIMETHYLBENZ[A]ANTHRACENE
Article Data:	19

Formula:	C₂₀H₁₆
Molecular Weight:	256.347
Synonyms:	7,12-Dimethylbenz[a]anthracene;9,10-Dimethyl-1,2-benz[a]anthracene;9,10-Dimethyl-1,2-benzanthracene;DMBA;DMBAn;NSC408823;
EINECS:	200-359-5
Density:	1.142 g/cm³
Melting Point:	122-123 °C(lit.)
Boiling Point:	463.5 °C at 760 mmHg
Flash Point:	227.3 °C
Appearance:	Yellow powder
Hazard Symbols:	T;Xn
Risk Codes:	22-45
Safety:	45-53-36/37
PSA:	0.00000
LogP:	5.76300

Synthetic route

: 2518-00-5
7,12-dihydro-7,12-dimethylbenzanthracene-7,12-diol

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; tin(ll) chloride
With 2TiCl2*LiAlH4 In tetrahydrofuran for 3h; Heating; Yield given;
Multi-step reaction with 2 steps 1: 57 percent aq. HI 2: 1 percent bisulfite solution / Heating View Scheme
Multi-step reaction with 2 steps 1: methanol; sulfuric acid 2: potassium; benzene View Scheme

: 2498-66-0
benz[a]anthracene-7,12-dione

: 75-16-1
methylmagnesium bromide

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
Reaktion ueber mehrere Stufen;

: 35281-31-3
7,12-dimethyl-7,12-dihydro-benz[a]anthracene

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With sulfur at 200℃;
With sulfur at 210 - 220℃;

: 27018-50-4
7-iodomethyl-12-methylbenz[a]anthracene

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With 1,4-dioxane; hydrogenchloride; tin(ll) chloride
With bisulfite solution Heating; Yield given;

: 63020-22-4
7-(12-Methylbenzanthryl)acetic acid

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
at 180 - 185℃;

: 63020-22-4
7-(12-Methylbenzanthryl)acetic acid

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With tin(IV) chloride at 110 - 120℃;
With zinc(II) chloride at 180 - 185℃;

: 63018-76-8
7,12-dimethoxy-7,12-dimethyl-7,12-dihydro-benz[a]anthracene

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With sodium; benzene
With potassium; benzene

: 81830-40-2
7-bromo-12-methyl-benz[a]anthracene

: 74-88-4
methyl iodide

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
With n-butyllithium; diethyl ether; benzene

: 60-29-7
diethyl ether

: 17526-35-1
acetic acid-(12-methyl-benz[a]anthracen-7-yl ester)

: 75-16-1
methylmagnesium bromide

: 71-43-2
benzene

: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
Reaktion ueber mehrere Stufen;

...Expand

: 2518-01-6
7,12-epidioxy-7,12-dihydro-7,12-dimethylbenzanthracene

A: 65273-21-4
8,13-epoxy-8,13-dihydro-8,13-dimethyl-1a,7a-naphtho-8a,12a-benzoxepin

B: 2518-00-5
7,12-dihydro-7,12-dimethylbenzanthracene-7,12-diol

C: 57-97-6
7,12-dimethyl-1,2-benzanthracene

Conditions

Conditions	Yield
In chlorobenzene for 10h; Product distribution; Heating; other time, other solvent;

...Expand

Raw Materials

74-88-4

71-43-2

60-29-7

Downstream Products

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Chemistry

IUPAC Name: 7,12-dimethylbenzo[b]phenanthrene
Molecular Formula: C₂₀H₁₆
Molecular Weight: 256.36g/mol
Chemical Properties: yellow powder
Density: 1.142 g/cm³
EINECS: 200-359-5
Liansport Information: UN 3077 9/PG 3
Melting Point: 122-123°C(lit.)
Boiling Point: 463.5 °C at 760 mmHg
Flash Point: 227.3 °C
storage temperature: 2-8°C
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å²
Index of Refraction: 1.728
Molar Refractivity: 89.43 cm³
Molar Volume: 224.3 cm³
Polarizability: 35.45× 10^-24cm³
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 69.69 kJ/mol
Vapour Pressure: 2.51E-08 mmHg at 25°C
Solubility: insoluble in water
Sensitivity: incompatible with strong oxidizing agents
   The chemical synonyms of Dimethylbenzanthracene (57-97-6) are DMBA ; 7,12-Dimethylbenzanthracene ; Dimethylbenz[a]anthracene ; Dimethylbenzanthrene ; Dimethylbenzanthracene ; 7,12-Dimethyltetraphene ; ETHYL ACETATE ; 9,10-Dimethyl-1,2-benzanthracene .Product categories of Dimethylbenzanthracene (57-97-6) are Organics ; Aromatics Compounds ; Aromatics ; Mutagenesis Research Chemicals ; Alpha Sort ; D ; DAlphabetic ; DID - DIN ; Volatiles/ Semivolatiles .The molecular structure of Dimethylbenzanthracene (57-97-6) is.

Uses

It is a highly potent carcinogen that is activated by microsomal enzymes to a diol epoxide metabolite that binds covalently to DNA in mammalian cells, leading ultimately to tumor induction .

Toxicity Data With Reference

1.	skn-mus 64 µg MLD	CALEDQ Cancer Letters (Shannon, Ireland). 4 (1978),333.
2.	dnd-hmn:emb 220 nmol/L	MUREAV Mutation Research. 89 (1981),95.
3.	dni-hmn:lvr 1 mmol/L	VOONAW Voprosy Onkologii. Problems of Onkology. 28 (11)(1982),53.
4.	otr-mus:emb 300 µg/L	PMRSDJ Progress in Mutation Research. 5 (1985),659.
5.	orl-rat TDLo:37,500 µg/kg (female 14-20D post):ETA,TER	CRNGDP Carcinogenesis. 3 (1978),413.
6.	ipr-rat TDLo:24 mg/kg (20D preg):ETA,TER	CCSUDL Carcinogenesis-A Comprehensive Survey 3 (1978),413.
7.	ivn-rat TDLo:15 mg/kg (21D preg):ETA,TER	JNCIAM Journal of the National Cancer Institute. 52 (1974),1365.
8.	ivn-rat TDLo:15 mg/kg (21D preg):ETA,TER	NEOLA4 Neoplasma. 23 (1976),285.
9.	imp-rat TDLo:11 µg/kg:ETA,TER	NISFAY Nippon Sanka Fujinka Gakkai Zasshi. Journal of Japanese Obstetrics and Gynecology. 34 (1982),1853.
10.	ipc-rat TDLo:1250 µg/kg:ETA,TER	GANNA2 Gann. Japanese Journal of Cancer Research. 62 (

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. A transplacental carcinogen. Poison by ingestion, intravenous, subcutaneous, intraperitoneal, and intratracheal routes. Other experimental reproductive effects. Human mutation data reported. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes: C,T,N,Xn,F
C: Corrosive
T: Toxic
N: Dangerous for the environment
Xn: Harmful
F: Highly Flammable
Risk Statements: 45-22-67-65-50/53-38-11-39/23/24/25-23/24/25
45: May cause cancer
22: Harmful if swallowed
65: Harmful: May cause lung damage if swallowed
67: Vapors may cause drowsiness and dizziness
11: Highly Flammable
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
39/23/24/25: Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
50/53: Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
38: Irritating to the skin
Safety Statements: 53-36/37-45-62-61-60
45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible)
53: Avoid exposure - obtain special instructions before use
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
36/37: Wear suitable protective clothing and gloves
F 10-13-23
F 10: Keep under argon
F 13: Malodorous
F 23: Sensitive to air
HazardClass: 6.1(b)