Basic information
- Standard SMILES
NC(=O)Nc1ccc(Cl)cc1- InChIKey
RECCURWJDVZHIH-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.02469052
Names & identifiers
- Preferred name
- 4-Chlorophenylurea
- IUPAC
- (4-chlorophenyl)urea
- English name
- 4-Chlorophenylurea
- Molecular formula
- C7H7ClN2O
- Molecular weight
- 170.6
Names & synonyms
4-Chlorophenylurea1-(4-chlorophenyl)urea(4-CHLOROPHENYL)UREAp-CPUUrea, (4-chlorophenyl)-(p-Chlorophenyl)ureaUrea, (p-chlorophenyl)-1-(p-Chlorophenyl)ureaN-(4-Chlorophenyl)ureaUrea, N-(4-chlorophenyl)-Urea, 1-(p-chlorophenyl)-52HM99ELKB
Show more names
NSC12971DIHEXYLPHTHALATEP-CHLOROPHENYL UREADiazoxide impurity-94-CHLOROPHENYLUREA 98%
EINECS 205-412-6DTXSID5041512UNII-52HM99ELKBNSC 12971NSC-12971BRN 09084923-(P-CHLOROPHENYL)UREADTXCID3021512
Database identifiers
- CAS
140-38-5、1967-26-6- PubChem CID
- 8796
- DTXSID
DTXSID5041512- ChEMBL
CHEMBL1544569- UNII
- 52HM99ELKB
- EC Number
- 205-412-6
- Nikkaji
- J87.592I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Solubility>25.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 204 · 204-205°C
- Boiling point
- 271.7 · 271.7±23.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.13 · 14.13±0.70(Predicted)
- color
- White to Off-White
- BRN
- 908492 · 908492
- CAS DataBase Reference
- 140 · 140-38-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 52 HM99ELKB · 52HM99ELKB
- NIST Chemistry Reference
- N-(4-chlorophenyl)urea(140-38-5)
- EPA Substance Registry System
- 4 · 4-Chlorophenylurea (140-38-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301-H335-H317-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 22 · 22-24/25
- RIDADR
- 2811 · UN2811
- RTECS
- 6127000 · YS6127000
- HazardClass
- IRRITANT
- HS Code
- 2924210090 · 2924210090
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 58) of reports.
Danger
H301 (89.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 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. 3 (89.7%)
Safety data
- rtecs
- YS6127000
- ridadr
- UN2811
- hs_code
- 2924210090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H319-H301-H335-H317-H315
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Usesp-Chlorophenylurea is a intermediate to synthesize chlorfenuron in sodium cyanate route.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
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杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
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Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
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United Life Science020-82099279 18988941402 · [email protected]
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Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
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上海拓目化工有限公司13391076197 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
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上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
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湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
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上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
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山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
13 records
Linked notes
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