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Basic information
- CAS
1740-57-4- Standard SMILES
NC(=O)c1cccc(C(N)=O)c1- InChIKey
QZUPTXGVPYNUIT-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Overview
Isophthalamide is a benzenedicarboxamide. It is functionally related to an isophthalic acid.
Names & identifiers
- Preferred name
- Isophthalamide
- IUPAC
- benzene-1,3-dicarboxamide
- English name
- Isophthalamide
- Molecular formula
- C8H8N2O2
- Molecular weight
- 164.16
Names & synonyms
Isophthalamide1,3-Benzenedicarboxamidebenzene-1,3-dicarboxamidem-PhthalamideIsophthaldiamidem-CarbamoylbenzamideIsophthalic acid diamideBRN 2045544UNII-ZP57YML58IEINECS 217-104-9ZP57YML58ICHEBI:38801
Show more names
Isophthalamide>m-carbamoylbenzamideisophthalicaciddiamide1,3-Benzenedicarbocamideisorthobenzenediformylisoamine
QZUPTXGVPYNUIT-UHFFFAOYSA-DTXSID201697441-09-00-00372 (Beilstein Handbook Reference)RefChem:149740DTXCID6092235InChI=1/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)QZUPTXGVPYNUIT-UHFFFAOYSA-N1740-57-4
Database identifiers
- CAS
1740-57-4- PubChem CID
- 74445
- DTXSID
DTXSID20169744- ChEBI
CHEBI:38801- UNII
- ZP57YML58I
- EC Number
- 217-104-9
- Nikkaji
- J203.148E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 268 · 268-270°C
- Boiling point
- 291.62 °C · 291.62°C (rough estimate)
- Density
- 1.2739 · 1.2739 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 15.25 · 15.25±0.50(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 2045544 · 2045544
- CAS DataBase Reference
- 1740 · 1740-57-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 57 YML58I · ZP57YML58I
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- CZ2201000
- hs_code
- 2924190090
- Toxicity
- mouse,LD50,intraperitoneal,1261mg/kg (1261mg/kg),BEHAVIORAL: MUSCLE WEAKNESSSENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYELUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA,Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
浙江海洲制药有限公司0576-88221739 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Related reactions
3 records
Compound notes
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