CAS No.36507-30-9,1A,10B-DIHYDRO-6H-DIBENZO[B,F]OXIRENO[D]AZEPINE-6-CARBOXAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	36507-30-9
Name:	1A,10B-DIHYDRO-6H-DIBENZO[B,F]OXIRENO[D]AZEPINE-6-CARBOXAMIDE
Article Data:	22

Formula:	C₁₅H₁₂N₂O₂
Molecular Weight:	252.272
Synonyms:	10,11-Dihydro-10,11-epoxycarbamazepine;10,11-Dihydro-5H-dibenz[b,f]azepine-5-carboxamide 10,11-epoxide;10,11-Epoxycarbamazepine;Carbamazepine 10,11-epoxide;Carbamazepine10,11-oxide;GP 49-023;
EINECS:	200-659-6
Density:	1.377 g/cm³
Melting Point:	204-206 °C
Boiling Point:	390.2 °C at 760 mmHg
Flash Point:	189.8 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	58.86000
LogP:	3.79470

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Specification

The Carbamazepine 10,11-epoxide, with the CAS registry number 36507-30-9, has the systematic name of 1a,10b-dihydro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxamide. It belongs to the following product categories: Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. And the molecular formula of the chemical is C₁₅H₁₂N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.92; (8)ACD/KOC (pH 7.4): 114.92; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.08 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 69.73 cm³; (15)Molar Volume: 183 cm³; (16)Polarizability: 27.64×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.377 g/cm³; (19)Flash Point: 189.8 °C; (20)Enthalpy of Vaporization: 63.97 kJ/mol; (21)Boiling Point: 390.2 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N2c1c(cccc1)C4OC4c3c2cccc3)N
(2)InChI: InChI=1/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
(3)InChIKey: ZRWWEEVEIOGMMT-UHFFFAOYAD

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	420mg/kg (420mg/kg)		Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 37, Pg. 12, 1978.