Phenylphosphonic dichloride

HCID 69990CAS 824-72-6

Basic information

Standard SMILES
O=P(Cl)(Cl)c1ccccc1
InChIKey
IBDMRHDXAQZJAP-UHFFFAOYSA-N
Molecular formula
C6H5Cl2OP
Average molar mass
194.98 g/mol
Monoisotopic mass
193.9455072

Names & identifiers

Preferred name
Phenylphosphonic dichloride
IUPAC
dichlorophosphorylbenzene
English name
Phenylphosphonic dichloride
Molecular formula
C6H5Cl2OP
Molecular weight
194.98

Names & synonyms

Phenylphosphonic dichloride824-72-6Phosphonic dichloride, phenyl-Benzenephosphonic dichloridePhenyldichlorophosphine oxideDichlorophenylphosphine oxidePhenylphosphonyl dichlorideBenzenephosphonyl chloridePhenylphosphonic acid dichloridePhosphonic dichloride, P-phenyl-Phenylphosphonodichloridic acidBenzenephosphonodichloridic acid
Show more names
BPODP,P-DICHLOROPHENYLPHOSPHINE OXIDEDichlorophosphorylbenzenephenylphosphonicAURORA KA-1395phosphonic dichL
DTXSID5044732Phenylphosphoryl DichlorideNSC 66477EINECS 212-534-3NSC-66477AI3-15064DTXCID3024732J162866K95

Database identifiers

CAS
824-72-6
PubChem CID
69990
DTXSID
DTXSID5044732
ChEMBL
CHEMBL3187787
UNII
J162866K95
EC Number
212-534-3
Nikkaji
J24.863K

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Physical Description · 2 items

Benzene phosphorus oxydichloride appears as a colorless reactive liquid. Severely irritates skin, eyes, and mucous membranes.

Colorless to yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
3 °C · 3 °C(lit.)
Boiling point
258 °C · 258 °C(lit.)
Density
1.375 g/mL · 1.375 g/mL at 25 °C(lit.)
vapor pressure
2.36 Pa · 2.36Pa at 25℃
refractive index
20 · n20/D 1.559(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.4% (1 of 268) of reports.

Danger

H290 (44%): May be corrosive to metals [Warning Corrosive to Metals];H302 (55.2%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (41%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (48.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 268 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 268 reports by companies.;There are 19 notifications provided by 267 of 268 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Phosphonic dichloride, phenyl-

Status: Active Update: 18-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23307

Dichlorophenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire Hazards · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2024)

Health Hazards · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

Hazards SummaryReacts violently with water; Causes burns; Toxic by ingestion; [Alfa Aesar MSDS]
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates;Halogenating Agents

Safety & protection

Fire Fighting · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

First Aid · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)

Nonfire Spill Response · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Regulatory information

Regulatory Information · 3 items

Chemical: Phosphonic dichloride, phenyl-

Status: Active Update: 18-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23307

Dichlorophenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29310095
Toxicity
LD50 orally in Rabbit: 681 mg/kg

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphonic dichloride, P-phenyl-: ACTIVE

Applications

UsesPhenylphosphonic dichloride is used in the preparation of 2-phenyl-[1,3,2]dioxaphosphepane-2-oxide. Further, it acts as an effective reagent for the chlorinative dehydration of some heterocycles.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

100 records

Linked notes

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