CAS No.36483-57-5,Trisbromoneopentyl alcohol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36483-57-5
Name:	Trisbromoneopentyl alcohol

Formula:	C₅H₉Br₃O
Molecular Weight:	324.84
Synonyms:	Tribromoneopentanol;2,2-Bis-(bromomethyl)-3-bromo-1-propanol tribromoneopentyl alcohol;2,2-Dimethylpropan-1-ol, tribromo derivative;TBNPA;
EINECS:	253-057-0
Density:	2.192 g/cm³
Melting Point:	62-67 °C
Boiling Point:	254.169 °C at 760 mmHg
Flash Point:	107.518 °C
Solubility:	2 g/L at 25 ºC
Appearance:	white solid
Risk Codes:	R20/21/22; R36/37/38
PSA:	20.23000
LogP:	2.84340

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Specification

The Trisbromoneopentyl alcohol, with the CAS registry number 36483-57-5, is also known as 2,2-Dimethylpropan-1-ol, tribromo derivative. Its EINECS number is 253-057-0. This chemical's molecular formula is C₅H₉Br₃O and molecular weight is 324.84. What's more, its systematic name is 1,1,3-Tribromo-2,2-dimethyl-1-propanol. Its classification code is Skin / Eye Irritant. This chemical is used as flame retardant.

Physical properties of Trisbromoneopentyl alcohol are: (1)ACD/LogP: 3.564; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 301.06; (6)ACD/BCF (pH 7.4): 295.58; (7)ACD/KOC (pH 5.5): 2069.17; (8)ACD/KOC (pH 7.4): 2031.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 49.875 cm³; (15)Molar Volume: 148.217 cm³; (16)Polarizability: 19.772×10^-24cm³; (17)Surface Tension: 50.14 dyne/cm; (18)Density: 2.192 g/cm³; (19)Flash Point: 107.518 °C; (20)Enthalpy of Vaporization: 57.107 kJ/mol; (21)Boiling Point: 254.169 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(CBr)C(Br)(Br)O
(2)Std. InChI: InChI=1S/C5H9Br3O/c1-4(2,3-6)5(7,8)9/h9H,3H2,1-2H3
(3)Std. InChIKey: HFRIZVDRQKQDRM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC	inhalation	> 714mg/m³/7H (714mg/m³)		National Technical Information Service. Vol. OTS0528517.
rat	LD50	oral	1630mg/kg (1630mg/kg)	KIDNEY, URETER, AND BLADDER: "INFLAMMATION, NECROSIS, OR SCARRING OF BLADDER" KIDNEY, URETER, AND BLADDER: HEMATURIA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	National Technical Information Service. Vol. OTS0528517.