CAS 76041-87-7 N,N-Diethyl-2-iodobenzamide (HCID 789049)

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Basic information

CAS: 76041-87-7
Standard SMILES: CCN(CC)C(=O)c1ccccc1I
InChIKey: BYACPVJFVPBGQI-UHFFFAOYSA-N
Molecular formula: C11H14INO
Average molar mass: 303.14 g/mol
Monoisotopic mass: 303.01201

Names & identifiers

Preferred name: N,N-Diethyl-2-iodobenzamide
IUPAC: N,N-diethyl-2-iodobenzamide
English name: N,N-diethyl-2-iodobenzamide
Molecular formula: C11H14INO
Molecular weight: 303.14

Names & synonyms

N,N-diethyl-2-iodobenzamide76041-87-7RefChem:358981MFCD01191133N,N-diethyl-2-iodo-benzamideSCHEMBL10488519Benzamide, N,N-diethyl-2-iodo-BYACPVJFVPBGQI-UHFFFAOYSA-NDTXSID401310745N,N-diethyl(2-iodophenyl)carboxamideAKOS003235448BS-32774

Show more names

CS-0212919ST50686299H38579SR-01000216010SR-01000216010-1

Database identifiers

CAS: 76041-87-7
PubChem CID: 789049
DTXSID: DTXSID401310745
Nikkaji: J1.123.182I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers9 total

武汉华瀚鼎诚新材料科技有限公司027-81388558 18963961905 · [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]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]

南京新瑞医药科技有限公司19850079587 · [email protected]

Related reactions

2 records

New reaction record

HRID 568886As reactantuspto-grants-1988_03

HRID 1721912As reactantuspto-grants-1989_08

Compound notes

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