Iodobenzene

Modify Date: 2026-07-02 10:33:31

Iodobenzene Structure
Iodobenzene structure
 Common Name Iodobenzene
CAS Number 591-50-4 Molecular Weight 204.008
Density 1.8±0.1 g/cm3 Boiling Point 188.3±0.0 °C at 760 mmHg
Molecular Formula C6H5I Melting Point −29 °C(lit.)
MSDS Chinese USA Flash Point 74.4±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Iodobenzene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.8±0.1 g/cm3
Boiling Point 188.3±0.0 °C at 760 mmHg
Melting Point −29 °C(lit.)
Molecular Formula C6H5I
Molecular Weight 204.008
Flash Point 74.4±0.0 °C
Exact Mass 203.943588
LogP 3.25
Vapour Pressure 0.8±0.3 mmHg at 25°C
Index of Refraction 1.620
InChIKey SNHMUERNLJLMHN-UHFFFAOYSA-N
SMILES Ic1ccccc1
Water Solubility insoluble

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA3390000
CHEMICAL NAME :
Benzene, iodo-
CAS REGISTRY NUMBER :
591-50-4
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H5-I
MOLECULAR WEIGHT :
204.01
WISWESSER LINE NOTATION :
IR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1749 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 35(12),45,1991
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16320 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 19(9),36,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(10),25,1988
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
17 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(10),25,1988

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant
Risk Phrases R22;R36
Safety Phrases S26-S36
RIDADR NA 1993 / PGIII
WGK Germany 3
RTECS DA3390000
HS Code 2827600000

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2903999090
Summary 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Articles30

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

IODOPHENYL
MFCD00001029
Benzene iodide
Iodinebenzol
Phenyl Iodide
iodo-benzene
EINECS 209-719-6
Iodobenzene
Benzene,iodo

 Iodobenzene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of Iodobenzene?
A: Molecular weight of Iodobenzene is 204.008.
Q: How is the water solubility of Iodobenzene?
A: Water solubility of Iodobenzene: insoluble.
Q: What is the LogP of Iodobenzene?
A: LogP of Iodobenzene is 3.25.
Q: What is the SMILES notation of Iodobenzene?
A: SMILES notation of Iodobenzene is Ic1ccccc1.
Q: What is the melting point of Iodobenzene?
A: Melting point of Iodobenzene is −29 °C(lit.).
Q: What is the CAS number of Iodobenzene?
A: CAS number of Iodobenzene is 591-50-4.
Q: What is the safety information for Iodobenzene?
A: Safety information for Iodobenzene: S26-S36.
Q: What is the molecular formula of Iodobenzene?
A: Molecular formula of Iodobenzene is C6H5I.
Q: What English synonyms does Iodobenzene have?
A: English synonyms of Iodobenzene: IODOPHENYL, MFCD00001029, Benzene iodide, Iodinebenzol, Phenyl Iodide, iodo-benzene, EINECS 209-719-6, Iodobenzene, Benzene,iodo.
Q: What is the boiling point of Iodobenzene?
A: Boiling point of Iodobenzene is 188.3±0.0 °C at 760 mmHg.

 Iodobenzenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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