Basic information
- CAS
620-05-3- Standard SMILES
ICc1ccccc1- InChIKey
XJTQJERLRPWUGL-UHFFFAOYSA-N- Molecular formula
- C7H7I
- Average molar mass
- 218.03 g/mol
- Monoisotopic mass
- 217.95924822
Overview
Low-melting crystals or a colorless liquid. Melting point 34.1 °C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
Names & identifiers
- Preferred name
- Benzyl iodide
- IUPAC
- iodomethylbenzene
- English name
- BENZYL IODIDE
- Molecular formula
- C7H7I
- Molecular weight
- 218.04
Names & synonyms
(Iodomethyl)benzeneBENZYL IODIDEiodomethylbenzeneBenzene, (iodomethyl)-alpha-IodotolueneFraissiteEINECS 210-623-1UN2653.alpha.-Iodotoluene859JV557EVDTXSID6060715UN 2653
Show more names
SKL717Iodotoluolα-Iodotoluene?-iodotoluenebenzene,iodomethyl-
alphaIodotoluenebenzene, (iodomethyl)RefChem:118874DTXCID1043201InChI=1/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6HXJTQJERLRPWUGL-UHFFFAOYSA-N620-05-3Iodophenylmethane
Database identifiers
- CAS
620-05-3- PubChem CID
- 12098
- DTXSID
DTXSID6060715- UNII
- 859JV557EV
- EC Number
- 210-623-1
- Nikkaji
- J7.045I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 55.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesBoiling point
Physical Description
Low-melting crystals or a colorless liquid. Melting point 34.1 °C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
Low-melting solid or colorless liquid; [CAMEO]
Physicochemical properties
- Melting point
- 280 · 280-282℃
- Boiling point
- 218 ℃ · 218℃
- Density
- 1.75 · 1.750
- refractive index
- 1.633 · 1.6330
- Flash point
- 98 ℃ · 98℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- 24.5 °C · Light yellow to brown 24.5°C Liquid
- Dielectric constant
- 6.1 · 6.1(20℃)
- InChI
- InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- XJTQJERLRPWUGL-UHFFFAOYSA-N
- SMILES
- C1(CI)=CC=CC=C1
- CAS DataBase Reference
- 620 · 620-05-3
- FDA UNII
- 859 JV557EV · 859JV557EV
- EPA Substance Registry System
- Benzene, (iodomethyl)- (620-05-3)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
- RIDADR
- 2653 · UN 2653
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29039990 · 29039990
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards SummaryA strong skin and eye irritant; Toxic by ingestion, inhalation and skin absorption; [CAMEO]
DOT ID and Guide2653 156
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileLook at benzyl chloride, benzyl bromide.
DOT Hazard Classification
Benzyl iodide
UN2653
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsInsoluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
Safety data
- tsca
- TSCA listed
- ridadr
- UN 2653
- hs_code
- 29039990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (iodomethyl)-: ACTIVE
Applications
UsesA tear gas.
Uses(Iodomethyl)benzene can be used as sensory irritants.
General DescriptionLow-melting crystals or a colorless liquid. Melting point 34.1°C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
Upstream & downstream products
Downstream products
Suppliers71 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
上海景颜化工科技有限公司13817811078 · [email protected]
武汉泰易成生化药业有限公司027-88320699 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东卡宾新材料科技有限公司17829912583 17392550121 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
盖米科技（青岛）有限公司19524370118 · [email protected]
济南嘉彬新材料科技有限公司0531-89293752 18363056853 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Chembon Pharmaceutical Co., Ltd.+86-28-8425-2981
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Related reactions
50 records
Compound notes
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