베타-클로로프로피온산

3-Chloropropionic acid

HCID 7899CAS 107-94-8

기본 정보

표준 SMILES
O=C(O)CCCl
InChIKey
QEYMMOKECZBKAC-UHFFFAOYSA-N
분자식
C3H5ClO2
평균 분자량
108.52 g/mol
단동위원소 질량
107.9978071

이름 및 식별자

우선 이름
3-Chloropropionic acid
IUPAC
3-chloropropanoic acid
현지명
베타-클로로프로피온산
영어명
3-Chloropropionic acid
분자식
C3H5ClO2
분자량
108.52

이름 및 동의어

3-CHLOROPROPIONIC ACID3-Chloropropanoic acid107-94-8Propanoic acid, 3-chloro-Propionic acid, 3-chloro-beta-Chloropropionic acid3-Chloropropanic acidbeta-Monochloropropionic acidDTXSID5021546R5J180FN9ZNSC-174DTXCID701546
이름 더 보기
3-클로로프로파노익액시드베타-클로로프로피온산3-chloropropionicβ-Chloropropioni cacidb-Chloropropionic acid3-Chloropropionic acid,98%AKOS BBS-00003850oropropionic acid3-ChlorpropionsureRARECHEM AL BO 01613-Chloropropionic ac
RefChem:500519203-534-43-chloro-propionic acid.beta.-Chloropropionic acid.beta.-Monochloropropionic acidMFCD00002764WLN: QV2GHSDB 2053

데이터베이스 식별자

CAS
107-94-8
PubChem CID
7899
DTXSID
DTXSID5021546
ChEMBL
CHEMBL1990700
UNII
R5J180FN9Z
EC Number
203-534-4
Nikkaji
J4.069J

물성

구조 계산 물성

XLogP
0.4
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
6

실험 및 물리화학적 성질

Density · 2건

1.26 (USCG, 1999) - Denser than water; will sink

DENSITY= 1.198 @ 0 °C/4 °C; BP= 155-157 °C /METHYL ESTER/

Color/Form · 2건

LEAFLETS FROM PETROLEUM ETHER

CRYSTALS

Solubility · 2건

FREELY SOL IN WATER, ALC, CHLOROFORM

MISCIBLE WITH ETHER

Flash Point · 2건

greater than 230 °F (USCG, 1999)

Flash point > 110 °C

Boiling Point · 2건

392 °F at 760 mmHg (USCG, 1999)

200 °C

Melting Point · 2건

106 °F (USCG, 1999)

41 °C

물리화학적 성질

녹는점
37 °C · 37 °C
끓는 점
203 · 203-205 °C(lit.)
밀도
1 · 1,27 g/cm3
굴절률
1.438 · 1.4380 (estimate)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

white to beige crystalline low melting mass

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H341 (12.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.

유해성 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 3-chloro-

Status: Active Update: 04-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12262

3-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Contain toxic chloride fumes.;Behavior in Fire: May produce toxic and irritating fumes. (USCG, 1999)
Health HazardsContact may cause skin and eye burns. Harmful if swallowed. (USCG, 1999)
Hazards SummaryEmergency treatment: irritants; [HSDB] May cause burns to skin and eyes; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupAcids, Carboxylic;Halogenated Organic Compounds

안전 및 보호

Fire FightingFire Extinguishing Agents: Small fires: dry chemical, CO2, water spray or foam; large fires: water spray, fog or foam. (USCG, 1999)
First Aid · 1건

EYES OR SKIN: Immediately flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.;INGESTION: If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)

Nonfire Spill Response · 1건

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 · 1건

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)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Human Toxicity ExcerptsTHE ALPHA-POSITION /OF THE HALOGEN RELATIVE TO BETA-POSITION/ IS ASSOC WITH A MUCH GREATER TOXICITY.
Non-Human Toxicity ExcerptsFOUR ORGANOHALIDES (INCLUDING 3-CHLOROPROPIONIC ACID) PRODUCED ELEVATED LUNG TUMOR RESPONSE WHICH WAS SIGNIFICANT BY STUDENT'S T TEST & THE CHI-2 TEST.

규제 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 3-chloro-

Status: Active Update: 04-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12262

3-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
UE8750000
ridadr
UN 3261 8/PG 2
HS 번호
29159080
risk_code
35-34-21/22

화학 및 산업

용도 및 제조

Uses · 2건

Used as an intermediate; [Hawley]

CHEMICAL INTERMEDIATE

U.S. Exports · 2건

(1972) No Data

(1975) No Data

U.S. Imports · 2건

(1972) No Data

(1975) No Data

U.S. Production · 2건

(1972) No Data

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

Methods of Manufacturing · 2건

OXIDATION OF 3-CHLOROPROPIONALDEHYDE WITH NITRIC ACID

PREPARED BY THE HYDROLYSIS OF ETHYLENE CYANOHYDRIN WITH HYDROCHLORIC ACID; BY THE OXIDATION OF BETA-CHLOROPROPIONALDEHYDE OR OF TRIMETHYLENE CHLOROHYDRIN BY NITRIC ACID. MOUREU, CHAUX, ORG SYN 8, 54 (1928); POWELL, ORG SYN 8, 58 (1928); PAAL, LOBECK, BER 64, 2142 (1931).

General Manufacturing InformationPropanoic acid, 3-chloro-: ACTIVE
응용 분야 · 2건

용도3-Chloropropionic acid was used to study the degradation of 3-chloropropionic acid by Pseudomonas sp. strain isolated from rice paddy fields. It was also used in determination of 3-bromopropionic acid, biomarker for the exposure to 1-bromopropane in human urine by gas chromatography

일반 설명A white crystalline solid with a sharp odor. Denser than water.

공급사50 곳

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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80건

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