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Aluminum, bis(2,6-dichlorophenolato)methyl- structure
Aluminum, bis(2,6-dichlorophenolato)methyl- structure

Aluminum, bis(2,6-dichlorophenolato)methyl-

Iupac Name:2-bromothiophene
CAS No.:1003-09-4
Molecular Weight:163.03562
1. Names and Identifiers
1.1 Name
Aluminum, bis(2,6-dichlorophenolato)methyl-
1.2 CAS No.
1003-09-4
1.3 CID
13851
1.4 Molecular Formula
C65H118N8O17 (isomer)
1.5 Inchi
InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
1.6 InChkey
TUCRZHGAIRVWTI-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CSC(=C1)Br
1.8 Isomers Smiles
C1=CSC(=C1)Br
2. Properties
3.1 Melting point
-10℃
3.1 Boiling point
°Cat760mmHg
3.1 Refractive index
1.585-1.587
3.1 Flash Point
49.9°C
3.1 Vapour pressure
4.99mmHg at 25°C
3.1 Precise Quality
161.91400
3.1 PSA
28.24000
3.1 logP
2.51060
3. Safety and Handling
4.1 Symbol
GHS02, GHS05, GHS06
4.1 Signal Word
Danger
4.1 Risk Statements
R10;R22;R23/24;R36/37/38;R51/53
4.1 Safety Statements
S16;S26;S36/37/39;S45;S61
4.1 Packing Group
II
4.1 Hazard Class
6.1
4.1 Hazard Declaration
H226-H300-H318
4.1 RIDADR
UN 2929
4.1 Caution Statement
P264-P280-P301 + P310-P305 + P351 + P338
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 2

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H300 Fatal if swallowed

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:163.03562g/mol
  • Molecular Formula:C65H118N8O17
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:161.91388
  • Monoisotopic Mass:161.91388
  • Complexity:46.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:28.2
  • Heavy Atom Count:6
  • 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:1
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