Basic information
- Standard SMILES
N#Cc1ccc(N)cc1Cl- InChIKey
ZFBKYGFPUCUYIF-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2
- Average molar mass
- 152.58 g/mol
- Monoisotopic mass
- 152.01412584
Names & identifiers
- Preferred name
- 4-Amino-2-chlorobenzonitrile
- IUPAC
- 4-amino-2-chlorobenzonitrile
- English name
- 4-Amino-2-chlorobenzonitrile
- Molecular formula
- C7H5ClN2
- Molecular weight
- 152.58
Names & synonyms
4-Amino-2-chlorobenzonitrile20925-27-3Benzonitrile, 4-amino-2-chloro-3-Chloro-4-cyanoaniline2-CHLORO-4-AMINOBENZONITRILEWYJ3C99GPFEINECS 244-114-0DTXSID20175082RefChem:97695DTXCID1097573244-114-0ZFBKYGFPUCUYIF-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB004052LABOTEST-BB LT001598924-Amino-2-chlorobenzonitrile >4-Amino-2-chlorobenzonitrile 99%4-AMINO-2-CHLOROBENZONITRILE, 98+%4-azanyl-2-chloro-benzenecarbonitrile
MFCD000359264-amino-2-chloro-benzonitrile4-cyano-3-chloroanilineUNII-WYJ3C99GPFSCHEMBL171717CK2152AC-4015GS-3416
Database identifiers
- CAS
20925-27-3- PubChem CID
- 88728
- DTXSID
DTXSID20175082- UNII
- WYJ3C99GPF
- EC Number
- 244-114-0
- Nikkaji
- J225.361E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 116 · 116-118 °C(lit.)
- Boiling point
- 339.5 · 339.5±27.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 0.67 · 0.67±0.10(Predicted)
- color
- White to Light yellow to Light orange
- BRN
- 2936425 · 2936425
- InChI
- 1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
- InChIKey
- ZFBKYGFPUCUYIF-UHFFFAOYSA-N
- SMILES
- Nc1ccc(C#N)c(Cl)c1
- CAS DataBase Reference
- 20925 · 20925-27-3(CAS DataBase Reference)
- FDA UNII
- 3 C99GPF · WYJ3C99GPF
- 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
- Hazard Codes
- Xn,Xi,N
- Risk Statements
- 22 · 22-43
- Safety Statements
- 22 · 22-24/25-36/37
- RIDADR
- 3439 · 3439
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.
Danger
H301 (10.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33507
Hazard Classes and CategoriesAcute Tox. 3 (10.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,N
- hazard_note
- Harmful/Irritant
- safety_code
- 22-24/25-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H317
- REACH Registrations
- Active
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses4-Amino-2-chlorobenzonitrile is commonly used as an organic reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [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]
泰州维生生物科技有限公司18351140886; 18351140886 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州安轩化工有限公司13912302692 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
杭州东帆化学有限公司86-0571-85151182
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
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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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [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]
北京禾兴源科技有限公司18511709189 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
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