Basic information
- Standard SMILES
Nc1cc(Cl)c(Cl)cc1N- InChIKey
IWFHBRFJOHTIPU-UHFFFAOYSA-N- Molecular formula
- C6H6Cl2N2
- Average molar mass
- 177.03 g/mol
- Monoisotopic mass
- 175.99080355
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,5-Dichloro-1,2-phenylenediamine
- IUPAC
- 4,5-dichlorobenzene-1,2-diamine
- English name
- 4,5-Dichloro-1,2-benzenediamine
- Molecular formula
- C6H6Cl2N2
- Molecular weight
- 177.03
Names & synonyms
5348-42-54,5-Dichloro-o-phenylenediamine4,5-Dichloro-1,2-benzenediamine1,2-Diamino-4,5-dichlorobenzene4,5-Dichloro-1,2-phenylenediamine1,2-Benzenediamine, 4,5-dichloro-1,2-Dichloro-4,5-diaminobenzeneo-Phenylenediamine, 4,5-dichloro-2LUD2S3RUCDTXSID70201663NSC-1577RefChem:507686
Show more names
4,5-Dichlorophenylene-1,2-diamineNSC 1577Maribavir Intermediate 1Dichloroophenylenediamine16-Bis(4-Nitrophenoxy)hexane5,5-di nitro barbutyric acid4,5-dichlorbenzol-1,2-diamin
DTXCID00124154226-305-04,5-dichlorobenzene-1,2-diamineMFCD000077234,5-Dichloro-o-phenylendiamine2-amino-4,5-dichloroaniline4,5-Dichloro-phenylenediamine4,5-dichloro-1,2-diaminobenzene
Database identifiers
- CAS
5348-42-5- PubChem CID
- 79297
- DTXSID
DTXSID70201663- UNII
- 2LUD2S3RUC
- EC Number
- 226-305-0
- Nikkaji
- J81.011H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 158 · 158-164 °C(lit.)
- Boiling point
- 291.88 °C · 291.88°C (rough estimate)
- Density
- 1.4668 · 1.4668 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 2.77 · 2.77±0.10(Predicted)
- form
- Crystalline Powder
- color
- Red-brown to brown
- Water Solubility
- Soluble in methanol and Dimethyl sulfoxide. Insoluble in water.
- BRN
- 1072811 · 1072811
- InChI
- InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
- InChIKey
- IWFHBRFJOHTIPU-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Cl)=C(Cl)C=C1N
- CAS DataBase Reference
- 5348 · 5348-42-5(CAS DataBase Reference)
- FDA UNII
- 2 LUD2S3RUC · 2LUD2S3RUC
- NIST Chemistry Reference
- 4 · 4,5-Dichloro-ortho-phenylenediamine(5348-42-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-40
- Safety Statements
- 26 · 26-36-45-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 29215900 · 29215900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29215900
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-45-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
上海相辉医药科技有限公司13761987713 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广州安信医药有限公司00000
山东博洛达生物科技有限公司0531-68659041 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
凯诺医药技术有限公司+86-18921203887 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [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]
雷丁试剂0510-85629785 18013409632 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
凯试（上海）科技有限公司021-50135380 · [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]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
常州安科尔生物科技有限公司0519-85519868 18915088878
济南碳泉新材料有限公司13658618215
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
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