5-(Chloromethyl)-1,2,3-trimethoxybenzene (HCID 77448)

Names & identifiers

Preferred name: 5-(Chloromethyl)-1,2,3-trimethoxybenzene
IUPAC: 5-(chloromethyl)-1,2,3-trimethoxybenzene
English name: 5-(Chloromethyl)-1,2,3-trimethoxybenzene
Molecular formula: C10H13ClO3
Molecular weight: 216.66

Names & synonyms

5-(Chloromethyl)-1,2,3-trimethoxybenzeneEINECS 223-330-9NSC 100940DTXSID60191741RefChem:530897DTXCID00114232223-330-93,4,5-Trimethoxybenzyl chloride3840-30-03,4,5-trimethoxybenzylchlorideMFCD000407163,4,5-trimethoxy benzyl chloride

Show more names

FEDOT-002Xylose Impurity 3-13C3,4,5-Trimethoxybenzylchloride97%3,4,5-Trimethoxybenzyl chloride 97%5-(chlormethyl)-1,2,3-trimethoxybenzene1,2,3-Trimethoxy-5-(chloromethyl)benzene5-(CHLOROMETHYL)PYROGALLOL TRIMETHYL ETHER

Benzene, 5-(chloromethyl)-1,2,3-trimethoxy-NSC1009403,4,5 trimethoxybenzyl chloride3,4,5-trimethoxy-alpha-chlorotolueneNSC-1009403,4,5-Trimethoxybenzyl chloride, >=98.0% (AT)SCHEMBL1706883SCHEMBL9403016

Database identifiers

CAS: 3840-30-0
PubChem CID: 77448
DTXSID: DTXSID60191741
EC Number: 223-330-9
Nikkaji: J32.102H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 60 · 60-63 °C
Boiling point: 110 °C · 110 °C(Press: 0.1 Torr)
Density: 1.145 · 1.145±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: 0.1 g/mL, · methanol: 0.1 g/mL, clear
form: crystalline solid
color: Faint beige/light brown
BRN: 911181 · 911181
InChI: InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
InChIKey: XXRUQNNAKXZSOS-UHFFFAOYSA-N
SMILES: C1(OC)=CC(CCl)=CC(OC)=C1OC
CAS DataBase Reference: 3840 · 3840-30-0(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,4,5-Trimethoxybenzyl chloride(3840-30-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
Hazard Note: Irritant
HazardClass: IRRITANT, LACHRYMATOR, CORROSIVE
HS Code: 2909309090 · 2909309090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2909309090
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: IRRITANT, LACHRYMATOR, CORROSIVE
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

5-BROMOMETHYL-1,2,3-TRIMETHOXY-BENZENE Triphenyl-[(3,4,5-trimethoxyphenyl)-methyl]-phosphonium chloride

Suppliers50 total

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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

Related reactions

86 records

New reaction record

HRID 18769As reactantuspto-grants-2010_06

HRID 35735As reactantuspto-grants-1988_08

HRID 77517As reactantuspto-grants-2014_09

HRID 90446As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119116As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134504As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 144266As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167937As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information