2-Chloro-3-(trifluoromethyl)benzaldehyde

HCID 2736672CAS 93118-03-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cccc(C(F)(F)F)c1Cl
InChIKey
KUNCMOAFNYLOSC-UHFFFAOYSA-N
Molecular formula
C8H4ClF3O
Average molar mass
208.56 g/mol
Monoisotopic mass
207.99027709

Names & identifiers

Preferred name
2-Chloro-3-(trifluoromethyl)benzaldehyde
IUPAC
2-chloro-3-(trifluoromethyl)benzaldehyde
English name
2-CHLORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE
Molecular formula
C8H4ClF3O
Molecular weight
208.57

Names & synonyms

2-Chloro-3-(trifluoromethyl)benzaldehyde93118-03-7DTXSID30371518RefChem:258512DTXCID00322552624-602-32-Chloro-3-trifluoromethylbenzaldehydeMFCD00792414TIMTEC-BB SBB003469ATTERCOP-CHM AT119733AS014452-Choro-3-(trifluoromethyl)benzaldehyde
Show more names
2-Fluoro-4-hydroxybenzonitrile3-Chloro-6-fluoroacetophenone2-Chloro-3-(trifluoromethyl)benzaldehyde98%2-Chloro-3-(trifluoromethyl)benzaldehyde 98%2-CHLORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE ISO 9001：2015 REACH
Benzaldehyde, 2-chloro-3-(trifluoromethyl)-SCHEMBL696649SCHEMBL2515771SBB003469AKOS005258349AC-3830CS-W015203PS-8035

Database identifiers

CAS
93118-03-7
PubChem CID
2736672
DTXSID
DTXSID30371518
EC Number
624-602-3

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
37 · 37-43 °C (lit.)
Boiling point
216.6 · 216.6±35.0 °C(Predicted)
Density
1.423 · 1.423±0.06 g/cm3(Predicted)
Flash point
230 °F · >230 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
Crystals or Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29122900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Uses2-Chloro-3-(trifluoromethyl)benzaldehyde can be used as an organic synthesis intermediate, which can be prepared by reacting 2-trifluoromethyl-chlorobenzene with n-butyllithium. It can be used to prepare the pharmaceutical intermediate (2-chloro-3-trifluoromethylbenzyl)cyclopropylamine.

Uses4-Chloro-3-(trifluoromethyl)benzaldehyde is a substituted benzaldehyde.

General Description4-Chloro-3-(trifluoromethyl)benzaldehyde is a substituted benzaldehyde.

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

49 records
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Linked notes

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