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Basic information
- CAS
56961-75-2- Standard SMILES
O=Cc1cc(Cl)cc(Cl)c1Cl- InChIKey
DJYRZTCLVDKWBL-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.924948
Names & identifiers
- Preferred name
- 2,3,5-Trichlorobenzaldehyde
- IUPAC
- 2,3,5-trichlorobenzaldehyde
- English name
- 2,3,5-Trichlorobenzaldehyde
- Molecular formula
- C7H3Cl3O
- Molecular weight
- 209.46
Names & synonyms
2,3,5-Trichlorobenzaldehyde56961-75-2Benzaldehyde, 2,3,5-trichloro-DTXSID3069146DJYRZTCLVDKWBL-UHFFFAOYSA-RefChem:81396DTXCID7042146DJYRZTCLVDKWBL-UHFFFAOYSA-NInChI=1/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3HMFCD00010860235-TrichlorobenzaldehydeG27EGF3NBZ
Show more names
TIMTEC-BB SBB0034542,3,5-Trichlorobenzaldehyde,97%2,3,5-TRICHLOROBENZALDEHYDE 98%2,3,5-Trichlorobenzene carboxaldehyde
SCHEMBL189844SCHEMBL13123952,3,5-Trichlorobenzaldehyde, 98%CL8240SBB003454AKOS005254300CS-W021478DS-2628
Database identifiers
- CAS
56961-75-2- PubChem CID
- 92596
- DTXSID
DTXSID3069146- UNII
- G27EGF3NBZ
- EC Number
- 626-196-3
- Nikkaji
- J209.035J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 73 · 73-75 °C(lit.)
- Boiling point
- 242 °C · 242°C (rough estimate)
- Density
- 1.5078 · 1.5078 (estimate)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 30 °C · Store below +30°C.
- form
- Powder and/or Chunks
- color
- White to off-white or slightly yellow
- InChI
- 1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
- InChIKey
- DJYRZTCLVDKWBL-UHFFFAOYSA-N
- SMILES
- Clc1c(cc(cc1C=O)Cl)Cl
- CAS DataBase Reference
- 56961 · 56961-75-2(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,3,5-trichloro- (56961-75-2)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
Regulatory information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29130000
- risk_code
- 34
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2,3,5-trichloro-: ACTIVE
Applications
Uses2,3,5-Trichlorobenzaldehyde is a compound that has been shown to have anticancer and apoptosis-inducing effects. It inhibits bacterial growth by chelating iron ions and suppressing bacterial DNA synthesis. In an experimental study, 2,3,5-Trichlorobenzaldehyde was also shown to inhibit the growth of cancer cells in cultures. This chemical has been used as a substrate for nuclear magnetic resonance spectroscopy to study its functional groups and free radical scavenging activity.
Suppliers79 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
16 records
Compound notes
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