2-Bromomethyl-1,4-benzodioxane

HCID 98333

Notes Reactions

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Basic information

CAS: 2164-34-3
Standard SMILES: BrCC1COc2ccccc2O1
InChIKey: QYLFKNVZIFTCIY-UHFFFAOYSA-N
Molecular formula: C9H9BrO2
Average molar mass: 229.07 g/mol
Monoisotopic mass: 227.97859163

Names & identifiers

Preferred name: 2-Bromomethyl-1,4-benzodioxane
IUPAC: 3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
English name: 2-Bromomethyl-1,4-benzodioxane
Molecular formula: C9H9BrO2
Molecular weight: 229.07

Names & synonyms

2164-34-32-Bromomethyl-1,4-benzodioxane2-(bromomethyl)-2,3-dihydro-1,4-benzodioxine2-(Bromomethyl)-1,4-benzodioxane2-(Bromomethyl)-2,3-dihydro-1,4-benzodioxinT2VR2E695H1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-NSC-106871QYLFKNVZIFTCIY-UHFFFAOYSA-DTXSID901301573EINECS 218-503-0NSC 106871

Show more names

AKOS 90TIMTEC-BB SBB0032902-BROMOMETHYL-1,4-BENZODIOXAN2-Bromomethyl-1,4-benzodioxane >2-Bromomethyl-1,4-benzodioxane,97%2-BroMoMethyl-1,4-benzodioxane, 97% 5GR2-(broMoMethyl)-3,4-dihydro-2H-chroMene2-Bromomethyl-2,3-dihydro-benzo[1,4]dioxine

RefChem:467277DTXCID501731663218-503-0InChI=1/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H22-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine2-Bromomethyl-2,3-dihydrobenzo[1,4]dioxine3-(bromomethyl)-2,3-dihydro-1,4-benzodioxineMFCD00044831

Database identifiers

CAS: 2164-34-3
PubChem CID: 98333
DTXSID: DTXSID901301573
UNII: T2VR2E695H
EC Number: 218-503-0
Nikkaji: J299.133K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 250 · 250-251 °C(lit.)
Density: 1.533 g/mL · 1.533 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5720(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow to Light orange
BRN: 150154 · 150154
InChI: InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
InChIKey: QYLFKNVZIFTCIY-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2OCC1CBr
CAS DataBase Reference: 2164 · 2164-34-3(CAS DataBase Reference)
FDA UNII: 2 VR2E695H · T2VR2E695H
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,N
Risk Statements: 36 · 36-51/53
Safety Statements: 26 · 26-60-61
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
HS Code: 29329900 · 29329900
Storage Class: 12 · 12 - Non Combustible Liquids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (17%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (17%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3082 9/PG 3
hs_code: 29329900
risk_code: 36-51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,N
safety_code: 26-60-61
Storage Class: 12 - Non Combustible Liquids
Hazard statements: H319
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P305+P351+P338

Chemistry & industry

Suppliers51 total

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

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

109 records

New reaction record

HRID 86441As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 97048As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113909As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 145325As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 157001As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164390As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 169838As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 189042As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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