Basic information
- CAS
2014-83-7- Standard SMILES
ClCc1c(Cl)cccc1Cl- InChIKey
LBOBESSDSGODDD-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3
- Average molar mass
- 195.5 g/mol
- Monoisotopic mass
- 193.9456832
Overview
causes elevated LDH activities in male rats
Names & identifiers
- Preferred name
- 2,6-Dichlorobenzyl chloride
- IUPAC
- 1,3-dichloro-2-(chloromethyl)benzene
- English name
- 2,6-Dichlorobenzyl chloride
- Molecular formula
- C7H5Cl3
- Molecular weight
- 195.47
Names & synonyms
2,6-Dichlorobenzyl chloride2014-83-71,3-Dichloro-2-(chloromethyl)benzenealpha,2,6-TrichlorotolueneBENZENE, 1,3-DICHLORO-2-(CHLOROMETHYL)-Toluene, alpha,2,6-trichloro-NSC-86116alpha-2,6-trichlorotoluene30102489TKDTXSID3047768alpha,2,6-TCTRefChem:445462
Show more names
alpha.2.6-TricAKOS BBS-000039732,6-Dichlorobenzyl2,6-Dichlorobenzyl c-2,6-Trichlorotolueneà,2,6-trichlorotolueneIsoconazole Impurity 4Dichlorobenzyl chloridA,2,6-TRICHLOROTOLUENE
DTXCID8027749217-940-41,3-Dichloro-2-chloromethyl-benzene2,6-DichlorobenzylchlorideMFCD00000897Toluene, .alpha.,2,6-trichloro-2,6-dichloro benzyl chloride.alpha.,2,6-Trichlorotoluene
Database identifiers
- CAS
2014-83-7- PubChem CID
- 74832
- DTXSID
DTXSID3047768- UNII
- 30102489TK
- EC Number
- 217-940-4
- Nikkaji
- J149J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Melting point
- 36 · 36-39 °C (lit.)
- Boiling point
- 117 · 117-119 °C/14 mmHg (lit.)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- form
- Solid
- color
- White or Colorless to Almost white or Almost colorless
- BRN
- 472282 · 472282
- InChI
- InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
- InChIKey
- LBOBESSDSGODDD-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=CC(Cl)=C1CCl
- CAS DataBase Reference
- 2014 · 2014-83-7(CAS DataBase Reference)
- FDA UNII
- 30102489 TK · 30102489TK
- NIST Chemistry Reference
- 1 · Benzene, 1,3-dichloro-2-(chloromethyl)-(2014-83-7)
- EPA Substance Registry System
- 1 · Benzene, 1,3-dichloro-2-(chloromethyl)- (2014-83-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 19 · 19
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,3-dichloro-2-(chloromethyl)-
Status: Active Update: 20-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23571
Hazard Classes and CategoriesSkin Corr. 1C (95.7%)
Toxicology
RAIS Toxicity Values
5e-05
HEAST Archive
EPA Provisional Peer-Reviewed Toxicity Values
alpha-2,6-Trichlorotoluene
PDF Document
2005
Safety data
- F
- 19
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Usesα,2,6-Trichloro-toluene (Isoconazole Impurity 2) is an impurity of Isoconazole, an antibacterial agent used to treat tinea inguinalis infections.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
安徽德信佳生物医药有限公司0531-82375818 15064153060 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
59 records
Compound notes
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