CAS 625-95-6 3-Iodotoluene (HCID 12268)

Names & identifiers

Preferred name: 3-Iodotoluene
IUPAC: 1-iodo-3-methylbenzene
English name: 3-Iodotoluene
Molecular formula: C7H7I
Molecular weight: 218.04

Names & synonyms

3-Iodotoluene1-Iodo-3-methylbenzene625-95-6M-IODOTOLUENEm-Tolyl iodidem-Methyliodobenzene3-Methylphenyl iodide2H574IR35GNSC-3775DTXSID5060809meta-iodotolueneRefChem:800376

Show more names

3-IodotoLm-iodo-toluen3-iodotoiuene3-lodotoluenem-tolyliodide3-Iodotoluene>

DTXCID7043378210-918-5Benzene, 1-iodo-3-methyl-Toluene, m-iodo-MFCD000010503-methyliodobenzene1-iodo-3-methyl-benzene3-Methyl-iodobenzene

Database identifiers

CAS: 625-95-6
PubChem CID: 12268
DTXSID: DTXSID5060809
UNII: 2H574IR35G
EC Number: 210-918-5
Nikkaji: J43.526K

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 70.8

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -27 °C · -27°C
Boiling point: 80 · 80-82 °C10 mm Hg(lit.)
Density: 1.698 g/mL · 1.698 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.604(lit.)
Flash point: 180 °F · 180 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Red to Green
Specific Gravity: 1.7 · 1.700 (20/4℃)
Water Solubility: Not miscible in water. Soluble in benzene, alcohol and ether.
Sensitive: Light Sensitive
BRN: 1903634 · 1903634
InChI: 1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: VLCPISYURGTGLP-UHFFFAOYSA-N
SMILES: Cc1cccc(I)c1
CAS DataBase Reference: 625 · 625-95-6(CAS DataBase Reference)
FDA UNII: 2 H574IR35G · 2H574IR35G
NIST Chemistry Reference: 1 · Benzene, 1-iodo-3-methyl-(625-95-6)
EPA Substance Registry System: m-Iodotoluene (625-95-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37/39-27
RIDADR: 2810 · UN 2810
WGK Germany: 2 · 2
RTECS: 3440000 · DA3440000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: DA3440000
ridadr: UN 2810
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-36/37/39-27
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-iodo-3-methyl-: INACTIVE

Applications

Usessuzuki reaction

Uses3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.

Upstream & downstream products

Upstream raw materials

2,5-Diiodotoluene Iodine, bis(acetato-κO)(3-methylphenyl)-Benzene, 1-iodyl-3-methyl-Benzenediazonium, 3-methyl-, tetrafluoroborate(1-)lithium p-toluenesulphonate M-TOLYLMAGNESIUM BROMIDE Allyltrimethylsilane 3-Tolylboronic acid m-Toluidine 3-Bromotoluene

Downstream products

N,N'-Bis(3-methylphenyl)-N,N'-bis(phenyl)benzidine 2-Iodotoluene 4-iodo-2-Methylbenzoic acid 4-(3'-Methylphenyl)amino-3-pyridinesulfonamide 3-methylphenethyl bromide 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene 1-Methylanthracene 3-Phenyltoluene

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

91 records

New reaction record

HRID 11195As reactantuspto-grants-2006_08

HRID 67788As reactantuspto-grants-1982_08

HRID 80623As reactantuspto-grants-2014_09

HRID 109279As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109329As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 130277As reactantuspto-grants-2008_06

HRID 130284As reactantuspto-grants-2008_06

HRID 131068As reactantuspto-grants-2008_06

Compound notes

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Basic information