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312-45-8

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Basic Information
CAS No.: 312-45-8
Name: HEMICHOLINIUM-3
Article Data: 1
Molecular Structure:
Molecular Structure of 312-45-8 (HEMICHOLINIUM-3)
Formula: C24H34 N2 O4 . 2 Br
Molecular Weight: 574.353
Synonyms: 2,2'-(4,4'-Biphenylylene)bis[2-hydroxy-4,4-dimethylmorpholiniumbromide] (6CI,7CI);Morpholinium,2,2'-(4,4'-biphenylylene)bis[2-hydroxy-4,4-dimethyl-, dibromide (8CI);Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-,dibromide (9CI);Morpholinium compounds, 2,2'-(4,4'-biphenylylene)bis[2-hydroxy-4,4-dimethyl-bromide] (6CI);HC 3;Hemicholine;Hemicholinium 3;Hemicholinium 3 dibromide;Hemicholinium bromide;Hemicholinium dibromide;Hemicholinium-3 bromide;NSC527583;
EINECS: 206-227-3
Density: g/cm3
Melting Point: 180°; mp 226- 228° (dec)
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols:
Risk Codes: 23/24/25-36/37/38
Safety: A poison by subcutaneous, intraperitoneal, and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and Br−.
PSA: 58.92000
LogP: -4.21740
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Chemistry

IUPAC Name: 2-[4-[4-(2-Hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol dibromide
Molecular Formula: C24H34N2O4•2Br
Molecular Weight: 574.42g/mol
EINECS: 206-227-3 
Transport information: UN 2811 6.1/PG 2
Freely Rotating Bonds: 5
Polar Surface Area: 36.92Å2 
Solubility:  1.3 mg/mL soluble in ethanol
Form: solid
Color: white
The Cas Register Number of Hemicholinium-3-dibromide is 312-45-8.The chemical synonyms of Hemicholinium-3-dibromide (CAS NO.312-45-8) are 2,2’-(1,1’-Biphenyl)-4,4’-diylbis(2-hydroxy-4,4-dimethyl-morpholinium)dibrom ; 2,2’-(4,4’-Biphenylylene)bis(2-hydroxy-4,4-dimethyl-morpholiniudibromide ; Hc-3 ; Hemicholine ; Hemicholinium-3bromide ; Hemicholinium-3dibromide ; Hemicholiniumbromide .The molecular structure of Hemicholinium-3-dibromide (CAS NO.312-45-8) is.

Uses

  Hemicholinium-3-dibromide (CAS NO.312-45-8) is used in biochemical study and as pharmaceutical. It can inhibit the transport of neurotransmitters into axon terminals or into storage vesicles within terminals.

Toxicity Data With Reference

1.    

ipr-rat LD50:160 µg/kg

     EJPHAZ    European Journal of Pharmacology. 33 (1975),145.
2.    

ipr-mus LD50:46 µg/kg

     EJPHAZ    European Journal of Pharmacology. 33 (1975),145.
3.    

scu-mus LDLo:150 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 152 (1964),253.
4.    

ivn-mus LD50:80 µg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 27 (1974),666.
5.    

ivn-dog LD50:750 µg/kg

     JMPCAS    Journal of Medicinal and Pharmaceutical Chemistry. 4 (1961),505.
6.    

ivn-cat LD50:300 µg/kg

     JMPCAS    Journal of Medicinal and Pharmaceutical Chemistry. 4 (1961),505.
7.    

ivn-rbt LD50:250 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 119 (1959),20.
8.    

ipr-gpg LDLo:300 µg/kg

     IRNEAE    International Review of Neurobiology. 2 (1960),77.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by subcutaneous, intraperitoneal, and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and Br−.
Hazard Codes: ToxicT
Risk Statements: 23/24/25-36/37/38 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
HazardClass: 6.1(b)