Basic information
- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1ccccc1- InChIKey
DSUPUOGOCIFZBG-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- Phthalanilic acid
- IUPAC
- 2-(phenylcarbamoyl)benzoic acid
- English name
- Phthalanillic acid
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
4727-29-12-(phenylcarbamoyl)benzoic acidPhthalanilic acidLemaxNevirolPhthalomonoanilideN-Phenylphthalamic acidPhthalic monoanilideo-(Phenylcarbamoyl)benzoic acid2-((Phenylamino)carbonyl)benzoic acidBL6ZPY93NNBenzoic acid, 2-((phenylamino)carbonyl)-
Show more names
NEVIROL(R)Nevirol(TM)phthalanilicHTHALANILLIC ACIDTIMTEC-BB SBB008373
Benzoic acid, 2-[(phenylamino)carbonyl]-NSC-26414DTXSID00197080RefChem:798920DTXCID10119571610-332-3phthalanillic acidN-Phenyl-phthalamic acid
Database identifiers
- CAS
4727-29-1- PubChem CID
- 78458
- DTXSID
DTXSID00197080- ChEMBL
CHEMBL86532- UNII
- BL6ZPY93NN
- EC Number
- 610-332-3
- Nikkaji
- J741.383A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Physicochemical properties
- Melting point
- 170 · 170-172℃ (ethanol )
- Boiling point
- 384.01 °C · 384.01°C (rough estimate)
- Density
- 1.2009 · 1.2009 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.52 · 3.52±0.36(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C14H11NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-9H,(H,15,16)(H,17,18)
- InChIKey
- DSUPUOGOCIFZBG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC=C1C(NC1=CC=CC=C1)=O
- FDA UNII
- 6 ZPY93NN · BL6ZPY93NN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2007/442
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesPhthalanilic acid is a compound that is useful in the production of fertilizers.
Suppliers50 total
Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
Zhuzhou Yaozhijie Chemical Co., LTD+66-955486952 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海拓克化学科技有限公司+86-021-69895597 13776836200 +86-13776836200 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
福建盛世嘉泰药业有限公司13385921167
上海钰康生物科技有限公司18939844854 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
泰安鑫润生物科技有限公司15318133072 15318133072 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
湖北恒化科技有限公司18064208139 · [email protected]
宁波赛伦化工有限公司0574-28809768 18658497215 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
湖北玖丰隆化工有限公司13277936479 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
泰安市江舟生物科技有限公司1385-13854830759 13854830759 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
Related reactions
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