Basic information
- CAS
51676-74-5- Standard SMILES
Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
KPDPGZNHKMJEFZ-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O4
- Average molar mass
- 216.58 g/mol
- Monoisotopic mass
- 215.9937843
Names & identifiers
- Preferred name
- 5-Chloro-2,4-dinitrotoluene
- IUPAC
- 1-chloro-5-methyl-2,4-dinitrobenzene
- English name
- 5-Chloro-2,4-dinitrotoluene
- Molecular formula
- C7H5ClN2O4
- Molecular weight
- 216.58
Names & synonyms
5-Chloro-2,4-dinitrotolueneToluene, 5-chloro-2,4-dinitro-DTXSID90291667RefChem:102291DTXCID90242811626-229-1KPDPGZNHKMJEFZ-UHFFFAOYSA-N51676-74-51-chloro-5-methyl-2,4-dinitrobenzeneMFCD000412351-chloro-5-methyl-2,4-dinitro-benzene2-chloro-4-methyl-1,5-dinitrobenzene
Show more names
5-Chloro-2,4-dinitrotoluene 98%Benzene, 1-chloro-5-methyl-2,4-dinitro-1-Chloro-2,4-dinitro-5-methylbenzene, 4,6-Dinitro-m-tolyl chloride
NSC770495-Chlor-2.4-dinitrotoluolNCIOpen2_0040683-Chloro-4,6-dinitrotolueneSCHEMBL358890NSC-77049SBB0953165-Chloro 2,4 dinitro toluene-97%
Database identifiers
- CAS
51676-74-5- PubChem CID
- 253802
- DTXSID
DTXSID90291667- EC Number
- 626-229-1
- Nikkaji
- J308.195H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 87 · 87-91 °C (lit.)
- Boiling point
- 334 · 334.0±37.0 °C(Predicted)
- Density
- 1.4054 g/cm3 · 1.4054 g/cm3(Temp: 99.2 °C)
- form
- solid
- BRN
- 2506591 · 2506591
- InChI
- 1S/C7H5ClN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
- InChIKey
- KPDPGZNHKMJEFZ-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cl)c(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS DataBase Reference
- 51676 · 51676-74-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 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
Hazard Classes and CategoriesSkin Sens. 1 (90.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29049090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
Chemistry & industry
Applications
Uses5-Chloro-2,4-dinitrotoluene (5CDNT) may be used to synthesize 5-methyl-6-nitrobenzofuroxan.
General DescriptionA molecular imprinted polymer (MIP) based electrochemical impedimetric sensor has been fabricated for the sensitive determination of 5CDNT. Low-detection-limit of 5CDNT was observed to be 0.1μM using this sensor.
Suppliers35 total
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
12 records
Compound notes
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