CAS No.76-29-9,D-3-BROMOCAMPHOR Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	76-29-9
Name:	D-3-BROMOCAMPHOR
Article Data:	38

Formula:	C₁₀H₁₅BrO
Molecular Weight:	231.132
Synonyms:	2-Bornanone,3-bromo- (7CI,8CI);Camphor, 3-bromo- (6CI);3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;3-Bromocamphor;Camphorbromide;
EINECS:	200-950-8
Density:	1.365 g/cm³
Melting Point:	75-77 °C
Boiling Point:	245.6 °C at 760 mmHg
Flash Point:	35.8 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	2.77510

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Specification

The Bicyclo[2.2.1]heptan-2-one,3-bromo-1,7,7-trimethyl- is an organic compound with the formula C₁₀H₁₅BrO. The IUPAC name of this chemical is 2-Bromo-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one. With the CAS registry number 76-29-9, it is also named as 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one. Besides, its molecular weight is 231.13.

The physical properties of Bicyclo[2.2.1]heptan-2-one,3-bromo-1,7,7-trimethyl- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.53; (5)ACD/BCF (pH 7.4): 40.53; (6)ACD/KOC (pH 5.5): 492.55; (7)ACD/KOC (pH 7.4): 492.55; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 52.18 cm³; (12)Molar Volume: 169.2 cm³; (13)Polarizability: 20.68×10^-24 cm³; (14)Surface Tension: 37.2 dyne/cm; (15)Density: 1.365 g/cm³; (16)Flash Point: 35.8 °C; (17)Enthalpy of Vaporization: 48.27 kJ/mol; (18)Boiling Point: 245.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0284 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC1C(=O)C2(CCC1C2(C)C)C
(2)InChI: InChI=1/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3
(3)InChIKey: NJQADTYRAYFBJN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3
(5)Std. InChIKey: NJQADTYRAYFBJN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	152mg/kg (152mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
mouse	LD50	oral	3500mg/kg (3500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
rat	LD50	oral	4450mg/kg (4450mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"	Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.