CAS No.694-83-7,1,2-Diaminocyclohexane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	694-83-7
Name:	1,2-Diaminocyclohexane
Article Data:	38

Formula:	C₆H₁₄N₂
Molecular Weight:	114.191
Synonyms:	1,2-Cyclohexanediamine;DHC 99;Dytek DCH 99;
EINECS:	211-776-7
Density:	0.939 g/cm³
Melting Point:	41-45 °C
Boiling Point:	193.643 °C at 760 mmHg
Flash Point:	75 °C
Solubility:	miscible with water
Appearance:	clear slightly yellow to yellow liquid
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3259 8/PG 2
PSA:	52.04000
LogP:	1.61560

Synthetic route

: 286-20-4
cyclohexane-1,2-epoxide

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With palladium on activated charcoal; ammonia; hydrogen In water at 110 - 250℃; under 18751.9 Torr; Pressure; Temperature; Solvent; Reagent/catalyst; Autoclave;	95%

: 34126-95-9
2-aminocyclohexanecarboxamide

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With potassium hypobromite und Erwaermen des Reaktionsprodukts mit Salzsaeure; es liefert die freie Base mit KOH;

: 32003-11-5
cyclohexane-1,2-dicarboxylic acid dihydrazide

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
beim Abbau nach Curtius; cis(?)-hexahydrophthalic acid dihydrazide;

: 26593-33-9
1,2-diazidocyclohexane

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In methanol

: N-(1-Ureido-ethyliden)-trans-2-chlor-cyclohexylamin

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With sodium hydroxide In ethylene glycol Heating;

: 110-83-8
cyclohexene

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; 2; nitrogen(II) oxide 1) THF, 0 deg C, 120 min; 2) THF, -70 deg C, room temperature (overnight), reflux (1 h); Yield given. Multistep reaction;

: O-Ethyl-N-(2-nitro-cyclohexyl)-hydroxylamine

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol under 760 Torr; Ambient temperature; Yield given;

: 96058-39-8
2,3-diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline

mineral acid: mineral acid

A: 694-83-7
1,2-diaminocyclohexane

B: 134-81-6
benzil

...Expand

: 2562-37-0
1-nitrocyclohexene

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaHCO3 / tetrahydrofuran / Ambient temperature 2: H2 / 10percent Pd/C / ethanol / 760 Torr / Ambient temperature View Scheme

: 64162-07-8
2-amino-cyclohexanecarboxylic acid ethyl ester

: 694-83-7
1,2-diaminocyclohexane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 145 °C / im geschlossenen Rohr 2: potassium hypobromite / und Erwaermen des Reaktionsprodukts mit Salzsaeure; es liefert die freie Base mit KOH View Scheme

Downstream Products

482-54-2

111-69-3

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Specification

1,2-Diaminocyclohexan, with the CAS NO.694-83-7 and the Molecular Formula of C₆H₁₄N₂, has the other names of trans-1,2-cyclohexanediamine; (+/-)-trans-cyclohexane-1,2-diamine; trans-cyclohexane-1,2-diamine; (+/-)-1,2-diaminocyclohexane; trans-1,2-diaminocyclohexane; trans-1,2-diamiocyclohexane; DACH. This diamine is a building block for chiral ligands that are useful in asymmetric catalysis.

Physical properties about 1,2-Diaminocyclohexan are: (1)ACD/LogP: 0.171; (2)ACD/LogD (pH 5.5): -3.58; (3)ACD/LogD (pH 7.4): -2.77; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 34.776 cm³; (13)Molar Volume: 121.597 cm³; (14)Polarizability: 13.786 10-24cm³; (15)Surface Tension: 37.0369987487793 dyne/cm; (16)Density: 0.939 g/cm³; (17)Flash Point: 75 °C; (18)Enthalpy of Vaporization: 42.984 kJ/mol; (19)Boiling Point: 193.643 °C at 760 mmHg; (20)Vapour Pressure: 0.46000000834465 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2;
(2)InChIKey=SSJXIUAHEKJCMH-UHFFFAOYSA-N;
(3)SmilesC1[C@@H]([C@@H](CCC1)N)N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LCLo	inhalation	3200mg/m3/4H (3200mg/m3)		Toxicologist. Vol. 12, Pg. 357, 1992.
rat	LD50	oral	4556mg/kg (4556mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR	National Technical Information Service. Vol. OTS0535386,