Basic information
- CAS
6590-95-0- Standard SMILES
S=C=Nc1c(Cl)cccc1Cl- InChIKey
SUCGVQHNGIQXGD-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NS
- Average molar mass
- 204.08 g/mol
- Monoisotopic mass
- 202.93632546
Names & identifiers
- Preferred name
- 1,3-Dichloro-2-isothiocyanatobenzene
- IUPAC
- 1,3-dichloro-2-isothiocyanatobenzene
- English name
- 2,6-Dichlorophenyl isothiocyanate
- Molecular formula
- C7H3Cl2NS
- Molecular weight
- 204.08
Names & synonyms
2,6-Dichlorophenyl isothiocyanate1,3-Dichloro-2-isothiocyanatobenzeneRefChem:414301623-472-56590-95-02,6-DichlorophenylisothiocyanateBenzene, 1,3-dichloro-2-isothiocyanato-1,3-dichloro-2-isothiocyanato-benzeneMFCD00041056SCHEMBL894400orb31813182,6-dichlorobenzenisothiocyanate
Show more names
2,6-dichlorobenzyl isothiocyanate2,6-Dichlorophenyl isothiocyate, 98%1, 3-Dichloro-2-isothiocyanto benzene2,6-Dichlorophenyl isothiocyanate, 98+%
2,6-dichlorophenyl-isothiocyanateDTXSID70216116GAA590951,3-dichloro-2-thioisocyanato-benzene2,6-dichloro-1-isothiocyanato-benzeneAKOS0014715411,3-Dichloro-2-isothiocyanatobenzene #2,6-Dichlorophenyl isothiocyanate, 97%
Database identifiers
- CAS
6590-95-0- PubChem CID
- 123239
- DTXSID
DTXSID70216116- EC Number
- 623-472-5
- Nikkaji
- J813.325E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 38 · 38-42 °C(lit.)
- Boiling point
- 122 · 122-124°C 8mm
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- solid
- Sensitive
- Moisture Sensitive
- BRN
- 639061 · 639061
- InChI
- 1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
- InChIKey
- SUCGVQHNGIQXGD-UHFFFAOYSA-N
- SMILES
- Clc1cccc(Cl)c1N=C=S
- CAS DataBase Reference
- 6590 · 6590-95-0(CAS DataBase Reference)
- 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 3
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 2930909899 · 2930909899
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 2930909899
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Uses2,6-Dichlorophenyl isothiocyanate may be used as a precursor to synthesize 1-(2-aminoethyl)-2-cyano-3-(2,6-dichlorophenyl)guanidine.
General Description2,6-Dichlorophenyl isothiocyanate is an isothiocyanate derivative. It has been synthesized by using 2,6-dichlorobenzaldehyde oxime as a starting reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers54 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
56 records
Compound notes
Loading…