Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >Pharmaceutical Intermediates
JULOLIDINE HYDROBROMIDE structure
JULOLIDINE HYDROBROMIDE structure

JULOLIDINE HYDROBROMIDE

Iupac Name:1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;hydrobromide
CAS No.: 83646-41-7
Molecular Weight:254.17
Modify Date.: 2022-11-25 05:35
1. Names and Identifiers
1.1 Name
JULOLIDINE HYDROBROMIDE
1.2 Synonyms

2,3,6,7-TETRAHEDRON-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE HYDROBROMIDE 2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZINE HYDROBROMIDE 2,3,6,7-TETRAHYDRO-1H-5H-BENZO(I,J)QUINOLIZINE, HBR JULOLIDINE HYDROBROMIDE LABOTEST-BB LT00451605

1.3 CAS No.
83646-41-7
1.4 CID
12255670
1.5 Molecular Formula
C12H16BrN (isomer)
1.6 Inchi
InChI=1S/C12H15N.BrH/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;/h1,4-5H,2-3,6-9H2;1H
1.7 InChIkey
KHWBRFVBPGPEOJ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CC2=C3C(=CC=C2)CCCN3C1.Br
1.9 Isomers Smiles
C1CC2=C3C(=CC=C2)CCCN3C1.Br
2. Properties
2.1 Melting point
239-242 °C(lit.)
2.1 Boiling point
347.2°C at 760 mmHg
2.1 Flash Point
163.8°C
2.1 Precise Quality
253.04700
2.1 PSA
3.24000
2.1 logP
3.40850
2.1 Storage
Hygroscopic. Store under Nitrogen. Ambient temperatures.
2.2 Color/Form
Pale pink
3. Safety and Handling
3.1 Hazard Codes
T
3.1 Risk Statements
14-23/24/25-34
3.1 Safety Statements
26-27-36/37/39-45
3.1 Packing Group
I
3.1 Hazard Class
6.1(a)
3.1 RIDADR
UN 3261 8/PG 2
3.1 WGK Germany
3
3.1 Safety
Hazard Codes TRisk Statements 14-23/24/25-34Safety Statements 26-27-36/37/39-45RIDADR UN 3261 8/PG 2 WGK Germany 3 HazardClass 6.1(a)PackingGroup I
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H331 Toxic if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P311 Call a POISON CENTER/doctor/\u2026

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 254.17g/mol
  • Molecular Formula: C12H16BrN
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 253.04661
  • Monoisotopic Mass: 253.04661
  • Complexity: 172
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 3.2
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADceByAAAAEAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACxAAAAHAAAAAAADAjBGAQwwIMAAACAAiRCQACCAAAhAAAIiAAIRIgIICLAkZGEIAhggADIyAcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAAAA==
6. Recommended Suppliers
Global7SuppliersView all >>
  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
  • Tel:86-21-61723543
Julolidine hydrobromide
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/11/21
Inquire
  • Products:building blocks, synthetic intermediates, custom synthesis
  • Tel:1-631-4854226
JULOLIDINE HYDROBROMIDE
  • Purity:99%Packing: 200kg/bag FOB
  • Price: Inquiry USD/gram
  • Time: 2016/03/29
Inquire
  • Products:Carbohydrates,Pyrimidine,Pyrazole,Pyridine,Indole,Isatin,Thiazole,Boronic Acid,Imidazole, Chiral compound and other Heterocyclic building blocks.
  • Tel:86-512-65816829
JULOLIDINE HYDROBROMIDE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:+49 35209 21501
JULOLIDINE HYDROBROMIDE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:+49-(69)-4109 2191
JULOLIDINE HYDROBROMIDE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
7. Realated Product Infomation